2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C23H23F5N6O — CID 171534358

About 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171534358) has the molecular formula C23H23F5N6O and a molecular weight of 494.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171534358
• Molecular Formula: C23H23F5N6O
• Molecular Weight: 494.47 g/mol
• Exact Mass: 494.19
• IUPAC Name: 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccc(-c2nc3n(n2)CCC(C(F)(F)F)C3)cc1)c1c(C(F)F)nc2n1CCCC2
• InChI: InChI=1S/C23H23F5N6O/c24-20(25)18-19(33-9-2-1-3-16(33)30-18)22(35)29-12-13-4-6-14(7-5-13)21-31-17-11-15(23(26,27)28)8-10-34(17)32-21/h4-7,15,20H,1-3,8-12H2,(H,29,35)
• InChIKey: CJYVXRMRPQITRC-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.47
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 171534358) is 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is O=C(NCc1ccc(-c2nc3n(n2)CCC(C(F)(F)F)C3)cc1)c1c(C(F)F)nc2n1CCCC2.

What is the InChIKey of 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is CJYVXRMRPQITRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N6O/c24-20(25)18-19(33-9-2-1-3-16(33)30-18)22(35)29-12-13-4-6-14(7-5-13)21-31-17-11-15(23(26,27)28)8-10-34(17)32-21/h4-7,15,20H,1-3,8-12H2,(H,29,35).

What are the key properties of 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171534358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).