azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C24H25F3N6O2 — CID 175538945

About azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 175538945) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
• PubChem CID: 175538945
• Molecular Formula: C24H25F3N6O2
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.20
• IUPAC Name: azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
• SMILES: COCc1ccc2ncc(-c3nn(C(F)C(F)F)c4cc(C(=O)N5CCCCCC5)ncc34)n2c1
• InChI: InChI=1S/C24H25F3N6O2/c1-35-14-15-6-7-20-29-12-19(32(20)13-15)21-16-11-28-17(24(34)31-8-4-2-3-5-9-31)10-18(16)33(30-21)23(27)22(25)26/h6-7,10-13,22-23H,2-5,8-9,14H2,1H3
• InChIKey: DIGQCMQBHYSLGE-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 77.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The IUPAC name of azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 175538945) is azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

What is the SMILES notation for azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The canonical SMILES for azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is COCc1ccc2ncc(-c3nn(C(F)C(F)F)c4cc(C(=O)N5CCCCCC5)ncc34)n2c1.

What is the InChIKey of azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The InChIKey is DIGQCMQBHYSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-35-14-15-6-7-20-29-12-19(32(20)13-15)21-16-11-28-17(24(34)31-8-4-2-3-5-9-31)10-18(16)33(30-21)23(27)22(25)26/h6-7,10-13,22-23H,2-5,8-9,14H2,1H3.

What are the key properties of azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 486.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 175538945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).