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

C21H17BrFN9O — CID 139488016

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide (PubChem CID 139488016) has the molecular formula C21H17BrFN9O and a molecular weight of 510.33 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
• PubChem CID: 139488016
• Molecular Formula: C21H17BrFN9O
• Molecular Weight: 510.33 g/mol
• Exact Mass: 509.07
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)c(F)c12)c1nnn(Cc2cn3cc(C4CC4)ccc3n2)n1
• InChI: InChI=1S/C21H17BrFN9O/c22-15-5-6-30-11-25-16(19(30)18(15)23)7-24-21(33)20-27-29-32(28-20)10-14-9-31-8-13(12-1-2-12)3-4-17(31)26-14/h3-6,8-9,11-12H,1-2,7,10H2,(H,24,33)
• InChIKey: MYLRAXFXBPWHIZ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 107.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.33
LogP ≤ 5	2.73
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]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide?

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide (CID 139488016) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide.

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

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1nnn(Cc2cn3cc(C4CC4)ccc3n2)n1.

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

The InChIKey is MYLRAXFXBPWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN9O/c22-15-5-6-30-11-25-16(19(30)18(15)23)7-24-21(33)20-27-29-32(28-20)10-14-9-31-8-13(12-1-2-12)3-4-17(31)26-14/h3-6,8-9,11-12H,1-2,7,10H2,(H,24,33).

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide has a molecular weight of 510.33 g/mol, XLogP of 2.73, 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]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 139488016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).