1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Phenylpyrazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Pyrazoles

Calculated Property

kind Value Source
logP 5.32 ALOGPS
logS -5.2 ALOGPS
Water Solubility 3.75e-03 g/l ALOGPS
logP 6.37 ChemAxon
IUPAC Name 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea ChemAxon
Traditional IUPAC Name doramapimod ChemAxon
Molecular Weight 527.6572 ChemAxon
Monoisotopic Weight 527.289640075 ChemAxon
SMILES CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C ChemAxon
Molecular Formula C31H37N5O3 ChemAxon
InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) ChemAxon
InChIKey InChIKey=MVCOAUNKQVWQHZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 80.65 ChemAxon
Refractivity 157.01 ChemAxon
Polarizability 59.73 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 11.46 ChemAxon
pKa (strongest basic) 6.78 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Mitogen-activated protein kinase 14 : in Human