(2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

C24H23ClF3N9O3 — CID 142564702

About (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

(2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 142564702) has the molecular formula C24H23ClF3N9O3 and a molecular weight of 577.96 g/mol. Its IUPAC name is (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
• PubChem CID: 142564702
• Molecular Formula: C24H23ClF3N9O3
• Molecular Weight: 577.96 g/mol
• Exact Mass: 577.16
• IUPAC Name: (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
• SMILES: NC(=O)[C@H]1CCCN1c1ncccc1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)n1
• InChI: InChI=1S/C24H23ClF3N9O3/c25-15-7-5-14(6-8-15)21-33-36(23(40)35(21)11-18(38)24(26,27)28)12-19-31-13-37(32-19)17-3-1-9-30-22(17)34-10-2-4-16(34)20(29)39/h1,3,5-9,13,16,18,38H,2,4,10-12H2,(H2,29,39)/t16-,18+/m1/s1
• InChIKey: ZEWZYKQFTXZRPZ-AEFFLSMTSA-N
• XLogP: 1.77
• TPSA: 149.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.96
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 142564702) is (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1ncccc1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)n1.

What is the InChIKey of (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?

The InChIKey is ZEWZYKQFTXZRPZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H23ClF3N9O3/c25-15-7-5-14(6-8-15)21-33-36(23(40)35(21)11-18(38)24(26,27)28)12-19-31-13-37(32-19)17-3-1-9-30-22(17)34-10-2-4-16(34)20(29)39/h1,3,5-9,13,16,18,38H,2,4,10-12H2,(H2,29,39)/t16-,18+/m1/s1.

What are the key properties of (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?

(2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 577.96 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142564702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).