N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C23H16BrFN8O2 — CID 139487553

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 139487553) has the molecular formula C23H16BrFN8O2 and a molecular weight of 535.34 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 139487553
• Molecular Formula: C23H16BrFN8O2
• Molecular Weight: 535.34 g/mol
• Exact Mass: 534.06
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: N#Cc1cc(C2CC2)cn2cc(Cc3nnc(C(=O)NCc4ncn5ccc(Br)c(F)c45)o3)nc12
• InChI: InChI=1S/C23H16BrFN8O2/c24-16-3-4-32-11-28-17(20(32)19(16)25)8-27-22(34)23-31-30-18(35-23)6-15-10-33-9-14(12-1-2-12)5-13(7-26)21(33)29-15/h3-5,9-12H,1-2,6,8H2,(H,27,34)
• InChIKey: BOEXVDRNOHZYSF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 126.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.34
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487553) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is N#Cc1cc(C2CC2)cn2cc(Cc3nnc(C(=O)NCc4ncn5ccc(Br)c(F)c45)o3)nc12.

What is the InChIKey of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is BOEXVDRNOHZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN8O2/c24-16-3-4-32-11-28-17(20(32)19(16)25)8-27-22(34)23-31-30-18(35-23)6-15-10-33-9-14(12-1-2-12)5-13(7-26)21(33)29-15/h3-5,9-12H,1-2,6,8H2,(H,27,34).

What are the key properties of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 535.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139487553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).