7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide

C22H25N5O3 — CID 167420281

About 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide

7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420281) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420281
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cn1ccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3cc2OC2CCC2)n1
• InChI: InChI=1S/C22H25N5O3/c1-21-11-22(12-21,13-29-21)17-10-27-9-15(20(28)24-18-6-7-26(2)25-18)16(8-19(27)23-17)30-14-4-3-5-14/h6-10,14H,3-5,11-13H2,1-2H3,(H,24,25,28)
• InChIKey: CWIGZBWZSNEBGT-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 167420281) is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cn1ccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3cc2OC2CCC2)n1.

What is the InChIKey of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is CWIGZBWZSNEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-21-11-22(12-21,13-29-21)17-10-27-9-15(20(28)24-18-6-7-26(2)25-18)16(8-19(27)23-17)30-14-4-3-5-14/h6-10,14H,3-5,11-13H2,1-2H3,(H,24,25,28).

What are the key properties of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide?

7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).