N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C29H32ClFN8O4 — CID 139487648

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487648) has the molecular formula C29H32ClFN8O4 and a molecular weight of 611.08 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 139487648
• Molecular Formula: C29H32ClFN8O4
• Molecular Weight: 611.08 g/mol
• Exact Mass: 610.22
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: CCOC(COCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)OCC
• InChI: InChI=1S/C29H32ClFN8O4/c1-3-42-25(43-4-2)16-41-15-20-9-19(18-5-6-18)11-38-12-21(34-28(20)38)13-39-14-24(35-36-39)29(40)32-10-23-27-26(31)22(30)7-8-37(27)17-33-23/h7-9,11-12,14,17-18,25H,3-6,10,13,15-16H2,1-2H3,(H,32,40)
• InChIKey: IESPOYJTFNNBPZ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 122.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.08
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487648) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is CCOC(COCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)OCC.

What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The InChIKey is IESPOYJTFNNBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClFN8O4/c1-3-42-25(43-4-2)16-41-15-20-9-19(18-5-6-18)11-38-12-21(34-28(20)38)13-39-14-24(35-36-39)29(40)32-10-23-27-26(31)22(30)7-8-37(27)17-33-23/h7-9,11-12,14,17-18,25H,3-6,10,13,15-16H2,1-2H3,(H,32,40).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 611.08 g/mol, XLogP of 4.14, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2,2-diethoxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).