6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide

C26H22ClFN8O2 — CID 153343983

About 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide

6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide (PubChem CID 153343983) has the molecular formula C26H22ClFN8O2 and a molecular weight of 532.97 g/mol. Its IUPAC name is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide
• PubChem CID: 153343983
• Molecular Formula: C26H22ClFN8O2
• Molecular Weight: 532.97 g/mol
• Exact Mass: 532.15
• IUPAC Name: 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide
• SMILES: CNC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12
• InChI: InChI=1S/C26H22ClFN8O2/c1-29-25(37)18-7-14(6-16-8-17(15-2-3-15)9-30-23(16)18)11-36-12-21(33-34-36)26(38)31-10-20-24-22(28)19(27)4-5-35(24)13-32-20/h4-9,12-13,15H,2-3,10-11H2,1H3,(H,29,37)(H,31,38)
• InChIKey: KEPJBLASIYAIQF-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 119.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.97
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide?

The IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide (CID 153343983) is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide.

What is the SMILES notation for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide?

The canonical SMILES for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide is CNC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.

What is the InChIKey of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide?

The InChIKey is KEPJBLASIYAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN8O2/c1-29-25(37)18-7-14(6-16-8-17(15-2-3-15)9-30-23(16)18)11-36-12-21(33-34-36)26(38)31-10-20-24-22(28)19(27)4-5-35(24)13-32-20/h4-9,12-13,15H,2-3,10-11H2,1H3,(H,29,37)(H,31,38).

What are the key properties of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide?

6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide has a molecular weight of 532.97 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 153343983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).