ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate

C26H24ClFN8O3 — CID 139487400

About ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate

ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate (PubChem CID 139487400) has the molecular formula C26H24ClFN8O3 and a molecular weight of 550.98 g/mol. Its IUPAC name is ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate
• PubChem CID: 139487400
• Molecular Formula: C26H24ClFN8O3
• Molecular Weight: 550.98 g/mol
• Exact Mass: 550.16
• IUPAC Name: ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate
• SMILES: CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
• InChI: InChI=1S/C26H24ClFN8O3/c1-2-39-23(37)9-21(19-12-35-11-16(15-3-4-15)5-6-22(35)31-19)36-13-20(32-33-36)26(38)29-10-18-25-24(28)17(27)7-8-34(25)14-30-18/h5-8,11-15,21H,2-4,9-10H2,1H3,(H,29,38)
• InChIKey: BGPPCGQQHKYGOX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 120.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.98
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate?

The IUPAC name of ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate (CID 139487400) is ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate.

What is the SMILES notation for ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate?

The canonical SMILES for ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate is CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.

What is the InChIKey of ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate?

The InChIKey is BGPPCGQQHKYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O3/c1-2-39-23(37)9-21(19-12-35-11-16(15-3-4-15)5-6-22(35)31-19)36-13-20(32-33-36)26(38)29-10-18-25-24(28)17(27)7-8-34(25)14-30-18/h5-8,11-15,21H,2-4,9-10H2,1H3,(H,29,38).

What are the key properties of ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate?

ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate has a molecular weight of 550.98 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate is sourced from PubChem (CID 139487400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).