3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one

C19H21N3O2 — CID 47021078

IUPAC3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCCC2c2ccncc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H21N3O2/c1-12-17-14(4-2-6-16(17)23)21-18(12)19(24)22-11-3-5-15(22)13-7-9-20-10-8-13/h7-10,15,21H,2-6,11H2,1H3
InChIKeyFWPVHHZBJWNXKS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.21
Rot. Bonds2

About 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one

3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 47021078) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID47021078
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCCC2c2ccncc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H21N3O2/c1-12-17-14(4-2-6-16(17)23)21-18(12)19(24)22-11-3-5-15(22)13-7-9-20-10-8-13/h7-10,15,21H,2-6,11H2,1H3
InChIKeyFWPVHHZBJWNXKS-UHFFFAOYSA-N
XLogP3.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-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

3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71893548
3-methyl-2-[(4S)-4-methylazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 95249705
2-[(4S,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 100904909
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 17472682
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420594
(2-pyridin-4-ylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 102554294
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33265057
3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
CID 47006849
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212
2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 35814605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one (CID 47021078) is 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCCC2c2ccncc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is FWPVHHZBJWNXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-17-14(4-2-6-16(17)23)21-18(12)19(24)22-11-3-5-15(22)13-7-9-20-10-8-13/h7-10,15,21H,2-6,11H2,1H3.
What are the key properties of 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 47021078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).