1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Indoles and derivatives

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Calculated Property

kind Value Source
logP 1.25 ALOGPS
logS -3.5 ALOGPS
Water Solubility 9.11e-02 g/l ALOGPS
logP 0.13 ChemAxon
IUPAC Name {2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-5-yl}urea ChemAxon
Traditional IUPAC Name 2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]indol-5-ylurea ChemAxon
Molecular Weight 282.2973 ChemAxon
Monoisotopic Weight 282.111675712 ChemAxon
SMILES [H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O ChemAxon
Molecular Formula C15H14N4O2 ChemAxon
InChI InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1 ChemAxon
InChIKey InChIKey=KJDBLWKTHMHALD-QMMMGPOBSA-N ChemAxon
Polar Surface Area (PSA) 100.34 ChemAxon
Refractivity 80.92 ChemAxon
Polarizability 29.34 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 13.66 ChemAxon
pKa (strongest basic) 0.49 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 3-phosphoinositide-dependent protein kinase 1 : in Human