4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H17F3N4O — CID 79352116

About 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 79352116) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
• PubChem CID: 79352116
• Molecular Formula: C13H17F3N4O
• Molecular Weight: 302.30 g/mol
• Exact Mass: 302.14
• IUPAC Name: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
• SMILES: O=C(C1Cc2nc[nH]c2CN1)N1CCCC(C(F)(F)F)C1
• InChI: InChI=1S/C13H17F3N4O/c14-13(15,16)8-2-1-3-20(6-8)12(21)10-4-9-11(5-17-10)19-7-18-9/h7-8,10,17H,1-6H2,(H,18,19)
• InChIKey: NKDAVGVUSUCMFD-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.30
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?

The IUPAC name of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 79352116) is 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

What is the SMILES notation for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?

The canonical SMILES for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1Cc2nc[nH]c2CN1)N1CCCC(C(F)(F)F)C1.

What is the InChIKey of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?

The InChIKey is NKDAVGVUSUCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)8-2-1-3-20(6-8)12(21)10-4-9-11(5-17-10)19-7-18-9/h7-8,10,17H,1-6H2,(H,18,19).

What are the key properties of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?

4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79352116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).