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

C25H25ClFN9O2 — CID 139487545

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

1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (PubChem CID 139487545) has the molecular formula C25H25ClFN9O2 and a molecular weight of 537.99 g/mol. Its IUPAC name is 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139487545
• Molecular Formula: C25H25ClFN9O2
• Molecular Weight: 537.99 g/mol
• Exact Mass: 537.18
• IUPAC Name: 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
• SMILES: NCCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C25H25ClFN9O2/c26-19-3-5-34-14-30-20(23(34)22(19)27)8-29-25(37)21-12-36(33-32-21)11-18-10-35-9-16(15-1-2-15)7-17(24(35)31-18)13-38-6-4-28/h3,5,7,9-10,12,14-15H,1-2,4,6,8,11,13,28H2,(H,29,37)
• InChIKey: TUWOREDOEDMEIO-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 129.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.99
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (CID 139487545) is 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.

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

The canonical SMILES for 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is NCCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

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

The InChIKey is TUWOREDOEDMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN9O2/c26-19-3-5-34-14-30-20(23(34)22(19)27)8-29-25(37)21-12-36(33-32-21)11-18-10-35-9-16(15-1-2-15)7-17(24(35)31-18)13-38-6-4-28/h3,5,7,9-10,12,14-15H,1-2,4,6,8,11,13,28H2,(H,29,37).

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

1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide has a molecular weight of 537.99 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).