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

C22H20F6N6O2 — CID 165129862

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

N-[5-[(2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129862) has the molecular formula C22H20F6N6O2 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-[5-[(2R,3S)-3-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-[(2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 165129862
• Molecular Formula: C22H20F6N6O2
• Molecular Weight: 514.43 g/mol
• Exact Mass: 514.16
• IUPAC Name: N-[5-[(2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: C[C@@H]1[C@@H](O)CCN1c1cnc(C(F)(F)F)c(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c1
• InChI: InChI=1S/C22H20F6N6O2/c1-12-18(35)5-6-34(12)14-7-17(19(29-9-14)22(26,27)28)32-20(36)16-4-2-3-15(31-16)13-8-30-33(10-13)11-21(23,24)25/h2-4,7-10,12,18,35H,5-6,11H2,1H3,(H,32,36)/t12-,18+/m1/s1
• InChIKey: LKLYSSWOEOZAJO-XIKOKIGWSA-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-[(2R,3S)-3-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-[(2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129862) is N-[5-[(2R,3S)-3-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-[(2R,3S)-3-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-[(2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is C[C@@H]1[C@@H](O)CCN1c1cnc(C(F)(F)F)c(NC(=O)c2cccc(-c3cnn(CC(F)(F)F)c3)n2)c1.

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

The InChIKey is LKLYSSWOEOZAJO-XIKOKIGWSA-N. The full InChI is InChI=1S/C22H20F6N6O2/c1-12-18(35)5-6-34(12)14-7-17(19(29-9-14)22(26,27)28)32-20(36)16-4-2-3-15(31-16)13-8-30-33(10-13)11-21(23,24)25/h2-4,7-10,12,18,35H,5-6,11H2,1H3,(H,32,36)/t12-,18+/m1/s1.

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

N-[5-[(2R,3S)-3-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-[(2R,3S)-3-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 165129862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).