N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C22H20F6N6O2 — CID 165129729

About N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129729) has the molecular formula C22H20F6N6O2 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 165129729
• Molecular Formula: C22H20F6N6O2
• Molecular Weight: 514.43 g/mol
• Exact Mass: 514.16
• IUPAC Name: N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: CC1CC(O)CN1c1cnc(C(F)(F)F)c(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c1
• InChI: InChI=1S/C22H20F6N6O2/c1-12-5-15(35)10-34(12)14-6-18(19(29-8-14)22(26,27)28)32-20(36)17-4-2-3-16(31-17)13-7-30-33(9-13)11-21(23,24)25/h2-4,6-9,12,15,35H,5,10-11H2,1H3,(H,32,36)
• InChIKey: VGGIYNPNQCEJEE-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.43
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129729) is N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC1CC(O)CN1c1cnc(C(F)(F)F)c(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c1.

What is the InChIKey of N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is VGGIYNPNQCEJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N6O2/c1-12-5-15(35)10-34(12)14-6-18(19(29-8-14)22(26,27)28)32-20(36)17-4-2-3-16(31-17)13-7-30-33(9-13)11-21(23,24)25/h2-4,6-9,12,15,35H,5,10-11H2,1H3,(H,32,36).

What are the key properties of N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 514.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).