1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one

C21H24N4O — CID 92584001

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCn2c(-c3ccncc3)cc3cccnc32)C1
InChIInChI=1S/C21H24N4O/c1-16-4-3-12-24(15-16)20(26)8-13-25-19(17-6-10-22-11-7-17)14-18-5-2-9-23-21(18)25/h2,5-7,9-11,14,16H,3-4,8,12-13,15H2,1H3/t16-/m0/s1
InChIKeyQOFQQHFAIMKNAD-INIZCTEOSA-N
MW348.45 g/mol
LogP3.75
Rot. Bonds4

About 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one

1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one (PubChem CID 92584001) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one
PubChem CID92584001
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCn2c(-c3ccncc3)cc3cccnc32)C1
InChIInChI=1S/C21H24N4O/c1-16-4-3-12-24(15-16)20(26)8-13-25-19(17-6-10-22-11-7-17)14-18-5-2-9-23-21(18)25/h2,5-7,9-11,14,16H,3-4,8,12-13,15H2,1H3/t16-/m0/s1
InChIKeyQOFQQHFAIMKNAD-INIZCTEOSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-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

(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 29133842
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026177
N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 46965776
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-[2-(difluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 92584371
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide
CID 113156666
N-cyclopropyl-3-[2-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92558915
N-cyclopropyl-3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 95849530
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-[(3S)-3-methylpiperidin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1155017
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95147475

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one (CID 92584001) is 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one is C[C@H]1CCCN(C(=O)CCn2c(-c3ccncc3)cc3cccnc32)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one?
The InChIKey is QOFQQHFAIMKNAD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-4-3-12-24(15-16)20(26)8-13-25-19(17-6-10-22-11-7-17)14-18-5-2-9-23-21(18)25/h2,5-7,9-11,14,16H,3-4,8,12-13,15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one?
1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 92584001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).