N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C25H20ClFN10O2 — CID 155883680

About N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 155883680) has the molecular formula C25H20ClFN10O2 and a molecular weight of 546.95 g/mol. Its IUPAC name is N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 155883680
• Molecular Formula: C25H20ClFN10O2
• Molecular Weight: 546.95 g/mol
• Exact Mass: 546.14
• IUPAC Name: N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1cn2c(F)c(Cl)ccc2n1)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)nn1
• InChI: InChI=1S/C25H20ClFN10O2/c26-19-3-4-21-30-17(11-37(21)23(19)27)7-28-25(38)20-12-36(34-32-20)10-18-9-35-8-16(14-1-2-14)5-15(24(35)31-18)6-22-33-29-13-39-22/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,28,38)
• InChIKey: UUINXAZEXLAYBL-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 133.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.95
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The IUPAC name of N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 155883680) is N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

What is the SMILES notation for N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1cn2c(F)c(Cl)ccc2n1)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)nn1.

What is the InChIKey of N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The InChIKey is UUINXAZEXLAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN10O2/c26-19-3-4-21-30-17(11-37(21)23(19)27)7-28-25(38)20-12-36(34-32-20)10-18-9-35-8-16(14-1-2-14)5-15(24(35)31-18)6-22-33-29-13-39-22/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,28,38).

What are the key properties of N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 546.95 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 155883680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).