N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C24H28F6N4O6 — CID 171925079

About N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171925079) has the molecular formula C24H28F6N4O6 and a molecular weight of 582.50 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171925079
• Molecular Formula: C24H28F6N4O6
• Molecular Weight: 582.50 g/mol
• Exact Mass: 582.19
• IUPAC Name: N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(NC1CC2CCC1C2)c1nc(CN2CCOCC2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H26N4O2.2C2HF3O2/c25-20(22-16-12-14-4-5-15(16)11-14)19-21-17(13-23-7-9-26-10-8-23)18-3-1-2-6-24(18)19;2*3-2(4,5)1(6)7/h1-3,6,14-16H,4-5,7-13H2,(H,22,25);2*(H,6,7)
• InChIKey: MPAOMQDARXMLRL-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 133.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171925079) is N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NC1CC2CCC1C2)c1nc(CN2CCOCC2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is MPAOMQDARXMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.2C2HF3O2/c25-20(22-16-12-14-4-5-15(16)11-14)19-21-17(13-23-7-9-26-10-8-23)18-3-1-2-6-24(18)19;2*3-2(4,5)1(6)7/h1-3,6,14-16H,4-5,7-13H2,(H,22,25);2*(H,6,7).

What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 582.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171925079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).