1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one

C24H25N5O4S — CID 160893149

About 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one (PubChem CID 160893149) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
• PubChem CID: 160893149
• Molecular Formula: C24H25N5O4S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.16
• IUPAC Name: 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
• SMILES: COc1ccc(S(C)(=O)=O)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1
• InChI: InChI=1S/C24H25N5O4S/c1-33-20-7-9-23(34(2,31)32)17(11-20)5-8-22(30)21-15-29(27-26-21)14-19-13-28-12-18(16-3-4-16)6-10-24(28)25-19/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3
• InChIKey: MQNAZPLZEMXSLO-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 108.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	3.08
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-(5-methoxy-2-methylsulfonylphenyl)propan-1-one?

The IUPAC name of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one (CID 160893149) is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one.

What is the SMILES notation for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one?

The canonical SMILES for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one is COc1ccc(S(C)(=O)=O)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1.

What is the InChIKey of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one?

The InChIKey is MQNAZPLZEMXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-33-20-7-9-23(34(2,31)32)17(11-20)5-8-22(30)21-15-29(27-26-21)14-19-13-28-12-18(16-3-4-16)6-10-24(28)25-19/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3.

What are the key properties of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one?

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one has a molecular weight of 479.56 g/mol, XLogP of 3.08, 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-(5-methoxy-2-methylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 160893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).