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

C21H18F6N6O2 — CID 165129741

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

N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129741) has the molecular formula C21H18F6N6O2 and a molecular weight of 500.40 g/mol. Its IUPAC name is N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 165129741
• Molecular Formula: C21H18F6N6O2
• Molecular Weight: 500.40 g/mol
• Exact Mass: 500.14
• IUPAC Name: N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: O=C(Nc1cc(N2CCC(O)C2)cnc1C(F)(F)F)c1cccc(-c2cnn(CC(F)(F)F)c2)n1
• InChI: InChI=1S/C21H18F6N6O2/c22-20(23,24)11-33-9-12(7-29-33)15-2-1-3-16(30-15)19(35)31-17-6-13(32-5-4-14(34)10-32)8-28-18(17)21(25,26)27/h1-3,6-9,14,34H,4-5,10-11H2,(H,31,35)
• InChIKey: QPJPCPASBOSGCV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.40
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129741) is N-[5-(3-hydroxypyrrolidin-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-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cc(N2CCC(O)C2)cnc1C(F)(F)F)c1cccc(-c2cnn(CC(F)(F)F)c2)n1.

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

The InChIKey is QPJPCPASBOSGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N6O2/c22-20(23,24)11-33-9-12(7-29-33)15-2-1-3-16(30-15)19(35)31-17-6-13(32-5-4-14(34)10-32)8-28-18(17)21(25,26)27/h1-3,6-9,14,34H,4-5,10-11H2,(H,31,35).

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

N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 500.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).