1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone

C22H25N3O2 — CID 22930013

IUPAC1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILES[H]/N=C1/c2nc(C)ccc2CN1CC(=O)c1cc(C)c(O)c(C2CCCC2)c1
InChIInChI=1S/C22H25N3O2/c1-13-9-17(10-18(21(13)27)15-5-3-4-6-15)19(26)12-25-11-16-8-7-14(2)24-20(16)22(25)23/h7-10,15,23,27H,3-6,11-12H2,1-2H3/b23-22-
InChIKeyFPWYJNAZHGLLCV-FCQUAONHSA-N
MW363.46 g/mol
LogP4.09
Rot. Bonds4

About 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone

1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone (PubChem CID 22930013) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone
PubChem CID22930013
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILES[H]/N=C1/c2nc(C)ccc2CN1CC(=O)c1cc(C)c(O)c(C2CCCC2)c1
InChIInChI=1S/C22H25N3O2/c1-13-9-17(10-18(21(13)27)15-5-3-4-6-15)19(26)12-25-11-16-8-7-14(2)24-20(16)22(25)23/h7-10,15,23,27H,3-6,11-12H2,1-2H3/b23-22-
InChIKeyFPWYJNAZHGLLCV-FCQUAONHSA-N
XLogP4.09
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone (CID 22930013) is 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone is [H]/N=C1/c2nc(C)ccc2CN1CC(=O)c1cc(C)c(O)c(C2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone?
The InChIKey is FPWYJNAZHGLLCV-FCQUAONHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-9-17(10-18(21(13)27)15-5-3-4-6-15)19(26)12-25-11-16-8-7-14(2)24-20(16)22(25)23/h7-10,15,23,27H,3-6,11-12H2,1-2H3/b23-22-.
What are the key properties of 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone?
1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 22930013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).