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

C22H22F3N5O3 — CID 167420300

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

7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420300) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-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-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420300
• Molecular Formula: C22H22F3N5O3
• Molecular Weight: 461.44 g/mol
• Exact Mass: 461.17
• IUPAC Name: 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC12CC(c3cn4cc(C(=O)Nc5ccn(C(F)(F)F)n5)c(OC5CCC5)cc4n3)(CO1)C2
• InChI: InChI=1S/C22H22F3N5O3/c1-20-10-21(11-20,12-32-20)16-9-29-8-14(15(7-18(29)26-16)33-13-3-2-4-13)19(31)27-17-5-6-30(28-17)22(23,24)25/h5-9,13H,2-4,10-12H2,1H3,(H,27,28,31)
• InChIKey: LOXWDHYNQQPPQF-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.44
LogP ≤ 5	4.01
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-(trifluoromethyl)pyrazol-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-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 167420300) is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-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-(trifluoromethyl)pyrazol-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-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is CC12CC(c3cn4cc(C(=O)Nc5ccn(C(F)(F)F)n5)c(OC5CCC5)cc4n3)(CO1)C2.

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

The InChIKey is LOXWDHYNQQPPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-20-10-21(11-20,12-32-20)16-9-29-8-14(15(7-18(29)26-16)33-13-3-2-4-13)19(31)27-17-5-6-30(28-17)22(23,24)25/h5-9,13H,2-4,10-12H2,1H3,(H,27,28,31).

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

7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 4.01, 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-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).