3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide

C28H34F2N5O2P — CID 170234750

About 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide

3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 170234750) has the molecular formula C28H34F2N5O2P and a molecular weight of 541.58 g/mol. Its IUPAC name is 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
• PubChem CID: 170234750
• Molecular Formula: C28H34F2N5O2P
• Molecular Weight: 541.58 g/mol
• Exact Mass: 541.24
• IUPAC Name: 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
• SMILES: Cc1cc(C)c(-c2cc(N3CCOCC3)c3nccn3c2)cc1NC(=O)N1CCC(C2(C(F)(F)P)CC2)C1
• InChI: InChI=1S/C28H34F2N5O2P/c1-18-13-19(2)23(32-26(36)35-7-3-21(17-35)27(4-5-27)28(29,30)38)15-22(18)20-14-24(33-9-11-37-12-10-33)25-31-6-8-34(25)16-20/h6,8,13-16,21H,3-5,7,9-12,17,38H2,1-2H3,(H,32,36)
• InChIKey: OLOKZJBPQFQXRV-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.58
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide?

The IUPAC name of 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide (CID 170234750) is 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide?

The canonical SMILES for 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(C)c(-c2cc(N3CCOCC3)c3nccn3c2)cc1NC(=O)N1CCC(C2(C(F)(F)P)CC2)C1.

What is the InChIKey of 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide?

The InChIKey is OLOKZJBPQFQXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N5O2P/c1-18-13-19(2)23(32-26(36)35-7-3-21(17-35)27(4-5-27)28(29,30)38)15-22(18)20-14-24(33-9-11-37-12-10-33)25-31-6-8-34(25)16-20/h6,8,13-16,21H,3-5,7,9-12,17,38H2,1-2H3,(H,32,36).

What are the key properties of 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide?

3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 541.58 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[difluoro(phosphanyl)methyl]cyclopropyl]-N-[2,4-dimethyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 170234750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).