1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one

C30H26FN7O2 — CID 157371445

About 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one (PubChem CID 157371445) has the molecular formula C30H26FN7O2 and a molecular weight of 535.58 g/mol. Its IUPAC name is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one
• PubChem CID: 157371445
• Molecular Formula: C30H26FN7O2
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.21
• IUPAC Name: 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one
• SMILES: COc1ccc(-c2cn3ccccc3n2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F
• InChI: InChI=1S/C30H26FN7O2/c1-40-27-11-9-22(24-17-36-13-3-2-4-28(36)33-24)23(30(27)31)8-10-26(39)25-18-38(35-34-25)16-21-15-37-14-20(19-5-6-19)7-12-29(37)32-21/h2-4,7,9,11-15,17-19H,5-6,8,10,16H2,1H3
• InChIKey: BJUTUMMEMPCUFJ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 91.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one?

The IUPAC name of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one (CID 157371445) is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one.

What is the SMILES notation for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one?

The canonical SMILES for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one is COc1ccc(-c2cn3ccccc3n2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.

What is the InChIKey of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one?

The InChIKey is BJUTUMMEMPCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O2/c1-40-27-11-9-22(24-17-36-13-3-2-4-28(36)33-24)23(30(27)31)8-10-26(39)25-18-38(35-34-25)16-21-15-37-14-20(19-5-6-19)7-12-29(37)32-21/h2-4,7,9,11-15,17-19H,5-6,8,10,16H2,1H3.

What are the key properties of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one?

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one has a molecular weight of 535.58 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2-fluoro-6-imidazo[1,2-a]pyridin-2-yl-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 157371445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).