ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate

C26H23ClFN7O3 — CID 139488252

About ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate

ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate (PubChem CID 139488252) has the molecular formula C26H23ClFN7O3 and a molecular weight of 535.97 g/mol. Its IUPAC name is ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate
• PubChem CID: 139488252
• Molecular Formula: C26H23ClFN7O3
• Molecular Weight: 535.97 g/mol
• Exact Mass: 535.15
• IUPAC Name: ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate
• SMILES: CCOC(=O)c1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1
• InChI: InChI=1S/C26H23ClFN7O3/c1-2-38-26(37)24-32-20(25(36)29-9-19-23-22(28)18(27)7-8-33(23)14-30-19)13-35(24)12-17-11-34-10-16(15-3-4-15)5-6-21(34)31-17/h5-8,10-11,13-15H,2-4,9,12H2,1H3,(H,29,36)
• InChIKey: MQMYUXQXYJPBOV-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 107.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.97
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate (CID 139488252) is ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate.

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

The canonical SMILES for ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1.

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

The InChIKey is MQMYUXQXYJPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O3/c1-2-38-26(37)24-32-20(25(36)29-9-19-23-22(28)18(27)7-8-33(23)14-30-19)13-35(24)12-17-11-34-10-16(15-3-4-15)5-6-21(34)31-17/h5-8,10-11,13-15H,2-4,9,12H2,1H3,(H,29,36).

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

ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate has a molecular weight of 535.97 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate is sourced from PubChem (CID 139488252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).