3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

C26H32F8N4O6 — CID 171926378

About 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171926378) has the molecular formula C26H32F8N4O6 and a molecular weight of 648.55 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171926378
• Molecular Formula: C26H32F8N4O6
• Molecular Weight: 648.55 g/mol
• Exact Mass: 648.22
• IUPAC Name: 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(NCC1(CO)CCCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H30F2N4O2.2C2HF3O2/c23-22(24)9-12-27(13-10-22)14-18-26-19(17-6-2-5-11-28(17)18)20(30)25-15-21(16-29)7-3-1-4-8-21;2*3-2(4,5)1(6)7/h2,5-6,11,29H,1,3-4,7-10,12-16H2,(H,25,30);2*(H,6,7)
• InChIKey: UJACEIHTKVXGNQ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 144.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.55
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171926378) is 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NCC1(CO)CCCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UJACEIHTKVXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O2.2C2HF3O2/c23-22(24)9-12-27(13-10-22)14-18-26-19(17-6-2-5-11-28(17)18)20(30)25-15-21(16-29)7-3-1-4-8-21;2*3-2(4,5)1(6)7/h2,5-6,11,29H,1,3-4,7-10,12-16H2,(H,25,30);2*(H,6,7).

What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?

3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 648.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171926378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).