6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

C20H23N3O — CID 3238287

IUPAC6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C20H23N3O/c1-14-9-11-15(12-10-14)22-19-18-17(8-5-13-21-18)20(24)23(19)16-6-3-2-4-7-16/h5,8-13,16,19,22H,2-4,6-7H2,1H3
InChIKeyKUWCUCUJPXRTBK-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.29
Rot. Bonds3

About 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3238287) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3238287
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C20H23N3O/c1-14-9-11-15(12-10-14)22-19-18-17(8-5-13-21-18)20(24)23(19)16-6-3-2-4-7-16/h5,8-13,16,19,22H,2-4,6-7H2,1H3
InChIKeyKUWCUCUJPXRTBK-UHFFFAOYSA-N
XLogP4.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CI 1044
CID 9843744
CI-1018
CID 9865514
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 5329912
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(piperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 11373564
Pyrrolopyridine, 30
CID 16720208
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
1-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409075
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
1H-indol-3-yl(4-phenylpiperazino)methanone
CID 1485570
Niprofazone
CID 65619
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea
CID 134814219

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3238287) is 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KUWCUCUJPXRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-9-11-15(12-10-14)22-19-18-17(8-5-13-21-18)20(24)23(19)16-6-3-2-4-7-16/h5,8-13,16,19,22H,2-4,6-7H2,1H3.
What are the key properties of 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 321.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).