(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide

C24H22ClF2N5O3 — CID 171628051

IUPAC(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)[C@@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C24H22ClF2N5O3/c25-15-4-1-3-14(9-15)16-6-8-31(22(34)17-5-2-7-32-13-28-11-20(17)32)12-19(16)29-21(33)18-10-24(26,27)23(35)30-18/h1-5,7,9,11,13,16,18-19H,6,8,10,12H2,(H,29,33)(H,30,35)/t16-,18-,19+/m0/s1
InChIKeyDFKZUYMJZCPFIB-YTQUADARSA-N
MW501.92 g/mol
LogP2.63
Rot. Bonds4

About (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide (PubChem CID 171628051) has the molecular formula C24H22ClF2N5O3 and a molecular weight of 501.92 g/mol. Its IUPAC name is (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide
PubChem CID171628051
Molecular FormulaC24H22ClF2N5O3
Molecular Weight501.92 g/mol
Exact Mass501.14
IUPAC Name(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)[C@@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C24H22ClF2N5O3/c25-15-4-1-3-14(9-15)16-6-8-31(22(34)17-5-2-7-32-13-28-11-20(17)32)12-19(16)29-21(33)18-10-24(26,27)23(35)30-18/h1-5,7,9,11,13,16,18-19H,6,8,10,12H2,(H,29,33)(H,30,35)/t16-,18-,19+/m0/s1
InChIKeyDFKZUYMJZCPFIB-YTQUADARSA-N
XLogP2.63
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.92
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide 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 (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide (CID 171628051) is (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide is O=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)[C@@H]1CC(F)(F)C(=O)N1.
What is the InChIKey of (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DFKZUYMJZCPFIB-YTQUADARSA-N. The full InChI is InChI=1S/C24H22ClF2N5O3/c25-15-4-1-3-14(9-15)16-6-8-31(22(34)17-5-2-7-32-13-28-11-20(17)32)12-19(16)29-21(33)18-10-24(26,27)23(35)30-18/h1-5,7,9,11,13,16,18-19H,6,8,10,12H2,(H,29,33)(H,30,35)/t16-,18-,19+/m0/s1.
What are the key properties of (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide has a molecular weight of 501.92 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-4,4-difluoro-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 171628051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).