3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C20H16F3N5O — CID 91352129

About 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 91352129) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 91352129
• Molecular Formula: C20H16F3N5O
• Molecular Weight: 399.38 g/mol
• Exact Mass: 399.13
• IUPAC Name: 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: O=C(NC(c1cccnc1)C(F)(F)F)C1=C2C=CC=CN2C(c2cccnc2)N1
• InChI: InChI=1S/C20H16F3N5O/c21-20(22,23)17(13-5-3-8-24-11-13)27-19(29)16-15-7-1-2-10-28(15)18(26-16)14-6-4-9-25-12-14/h1-12,17-18,26H,(H,27,29)
• InChIKey: VKMNKYJQRRNHAL-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.38
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 91352129) is 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NC(c1cccnc1)C(F)(F)F)C1=C2C=CC=CN2C(c2cccnc2)N1.

What is the InChIKey of 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is VKMNKYJQRRNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)17(13-5-3-8-24-11-13)27-19(29)16-15-7-1-2-10-28(15)18(26-16)14-6-4-9-25-12-14/h1-12,17-18,26H,(H,27,29).

What are the key properties of 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?

3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 91352129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).