(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide

C27H31F2N5O2 — CID 171628048

About (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide

(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 171628048) has the molecular formula C27H31F2N5O2 and a molecular weight of 495.57 g/mol. Its IUPAC name is (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide
• PubChem CID: 171628048
• Molecular Formula: C27H31F2N5O2
• Molecular Weight: 495.57 g/mol
• Exact Mass: 495.24
• IUPAC Name: (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide
• SMILES: CC(C)[C@@]1(C(=O)N[C@@H]2CN(C(=O)c3cccn4cncc34)CC[C@H]2c2cc(F)cc(F)c2)CCCN1
• InChI: InChI=1S/C27H31F2N5O2/c1-17(2)27(7-4-8-31-27)26(36)32-23-15-33(10-6-21(23)18-11-19(28)13-20(29)12-18)25(35)22-5-3-9-34-16-30-14-24(22)34/h3,5,9,11-14,16-17,21,23,31H,4,6-8,10,15H2,1-2H3,(H,32,36)/t21-,23+,27+/m0/s1
• InChIKey: HCKMXJJANWMFKE-VBANMALSSA-N
• XLogP: 3.51
• TPSA: 78.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.57
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide (CID 171628048) is (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide is CC(C)[C@@]1(C(=O)N[C@@H]2CN(C(=O)c3cccn4cncc34)CC[C@H]2c2cc(F)cc(F)c2)CCCN1.

What is the InChIKey of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide?

The InChIKey is HCKMXJJANWMFKE-VBANMALSSA-N. The full InChI is InChI=1S/C27H31F2N5O2/c1-17(2)27(7-4-8-31-27)26(36)32-23-15-33(10-6-21(23)18-11-19(28)13-20(29)12-18)25(35)22-5-3-9-34-16-30-14-24(22)34/h3,5,9,11-14,16-17,21,23,31H,4,6-8,10,15H2,1-2H3,(H,32,36)/t21-,23+,27+/m0/s1.

What are the key properties of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide?

(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 171628048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).