1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one

C28H27N5O2 — CID 146127382

IUPAC1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)CC1
InChIInChI=1S/C28H27N5O2/c1-17-25(22-8-3-4-9-23(22)30-17)18-10-12-33(13-11-18)27(34)20-7-5-6-19(14-20)21-15-24-26(29-16-21)31-28(35)32(24)2/h3-9,14-16,18,30H,10-13H2,1-2H3,(H,29,31,35)
InChIKeyGCPBHQQDOWVRNT-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.74
Rot. Bonds3

About 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one

1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 146127382) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID146127382
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)CC1
InChIInChI=1S/C28H27N5O2/c1-17-25(22-8-3-4-9-23(22)30-17)18-10-12-33(13-11-18)27(34)20-7-5-6-19(14-20)21-15-24-26(29-16-21)31-28(35)32(24)2/h3-9,14-16,18,30H,10-13H2,1-2H3,(H,29,31,35)
InChIKeyGCPBHQQDOWVRNT-UHFFFAOYSA-N
XLogP4.74
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-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

6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154807071
6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154839958
N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56924673
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60552358
6-[3-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carbonyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 146135394
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 87042114
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 154753034

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 146127382) is 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)CC1.
What is the InChIKey of 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GCPBHQQDOWVRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-17-25(22-8-3-4-9-23(22)30-17)18-10-12-33(13-11-18)27(34)20-7-5-6-19(14-20)21-15-24-26(29-16-21)31-28(35)32(24)2/h3-9,14-16,18,30H,10-13H2,1-2H3,(H,29,31,35).
What are the key properties of 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 465.56 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 146127382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).