2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C22H22N6O — CID 175924180

About 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 175924180) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 175924180
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
• SMILES: CC1CC(c2cccc(-c3cn4cccc(C(N)=O)c4n3)c2)(c2nncn2C)C1
• InChI: InChI=1S/C22H22N6O/c1-14-10-22(11-14,21-26-24-13-27(21)2)16-6-3-5-15(9-16)18-12-28-8-4-7-17(19(23)29)20(28)25-18/h3-9,12-14H,10-11H2,1-2H3,(H2,23,29)
• InChIKey: BBNUXDBDGPZXPI-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 91.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 175924180) is 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is CC1CC(c2cccc(-c3cn4cccc(C(N)=O)c4n3)c2)(c2nncn2C)C1.

What is the InChIKey of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is BBNUXDBDGPZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-10-22(11-14,21-26-24-13-27(21)2)16-6-3-5-15(9-16)18-12-28-8-4-7-17(19(23)29)20(28)25-18/h3-9,12-14H,10-11H2,1-2H3,(H2,23,29).

What are the key properties of 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 175924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).