4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C28H34N4O2 — CID 134329918

IUPAC4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCCc1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc12
InChIInChI=1S/C28H34N4O2/c1-5-23-24-14-20(6-7-25(24)30-27(23)21-12-17(2)29-18(3)13-21)19-8-10-32(11-9-19)28(34)22-15-26(33)31(4)16-22/h6-7,12-14,19,22,30H,5,8-11,15-16H2,1-4H3
InChIKeyUNAWSFPYWACNGR-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.59
Rot. Bonds4

About 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 134329918) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID134329918
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCCc1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc12
InChIInChI=1S/C28H34N4O2/c1-5-23-24-14-20(6-7-25(24)30-27(23)21-12-17(2)29-18(3)13-21)19-8-10-32(11-9-19)28(34)22-15-26(33)31(4)16-22/h6-7,12-14,19,22,30H,5,8-11,15-16H2,1-4H3
InChIKeyUNAWSFPYWACNGR-UHFFFAOYSA-N
XLogP4.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-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

Demethoxyfumitremorgin C
CID 10337896
2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CID 134329228
3-(5-{[4-(Aminomethyl)piperidin-1-YL]methyl}-1H-indol-2-YL)quinolin-2(1H)-one
CID 10156987
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142173
1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidine-3-carboxamide
CID 135230884
1-(8-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-2-piperidin-1-yl-ethanone
CID 937085
N-[(2-methyl-5-indolyl)methyl]propionamide
CID 4152252
2-Acetyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 648697
2-(2-Phenyl-1H-indol-3-yl)-1-piperidin-1-yl-ethanone
CID 10381218
N-{1-[(5-Methyl-1h-Indol-3-Yl)methyl]piperidin-4-Yl}-L-Tryptophanamide
CID 73167574
3-Pyrrolidin-1-YL-N-[6-(3-pyrrolidin-1-YL-propionylamino)-acridin-3-YL]-propionamide
CID 446848

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 134329918) is 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is CCc1c(-c2cc(C)nc(C)c2)[nH]c2ccc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc12.
What is the InChIKey of 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is UNAWSFPYWACNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-5-23-24-14-20(6-7-25(24)30-27(23)21-12-17(2)29-18(3)13-21)19-8-10-32(11-9-19)28(34)22-15-26(33)31(4)16-22/h6-7,12-14,19,22,30H,5,8-11,15-16H2,1-4H3.
What are the key properties of 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 458.61 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-ethyl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 134329918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).