N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide

C24H25ClF3N5O2 — CID 171628096

About N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide

N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide (PubChem CID 171628096) has the molecular formula C24H25ClF3N5O2 and a molecular weight of 507.94 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide
• PubChem CID: 171628096
• Molecular Formula: C24H25ClF3N5O2
• Molecular Weight: 507.94 g/mol
• Exact Mass: 507.16
• IUPAC Name: N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide
• SMILES: CC(NCC(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)C(F)(F)F
• InChI: InChI=1S/C24H25ClF3N5O2/c1-15(24(26,27)28)30-12-22(34)31-20-13-32(9-7-18(20)16-4-2-5-17(25)10-16)23(35)19-6-3-8-33-14-29-11-21(19)33/h2-6,8,10-11,14-15,18,20,30H,7,9,12-13H2,1H3,(H,31,34)/t15?,18-,20+/m0/s1
• InChIKey: WEJGTZUEYIOFTN-RUTXASTPSA-N
• XLogP: 3.64
• TPSA: 78.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.94
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide?

The IUPAC name of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide (CID 171628096) is N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide.

What is the SMILES notation for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide?

The canonical SMILES for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide is CC(NCC(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)C(F)(F)F.

What is the InChIKey of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide?

The InChIKey is WEJGTZUEYIOFTN-RUTXASTPSA-N. The full InChI is InChI=1S/C24H25ClF3N5O2/c1-15(24(26,27)28)30-12-22(34)31-20-13-32(9-7-18(20)16-4-2-5-17(25)10-16)23(35)19-6-3-8-33-14-29-11-21(19)33/h2-6,8,10-11,14-15,18,20,30H,7,9,12-13H2,1H3,(H,31,34)/t15?,18-,20+/m0/s1.

What are the key properties of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide?

N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide has a molecular weight of 507.94 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide is sourced from PubChem (CID 171628096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).