2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide

C58H52Cl2F8N18O10 — CID 157282806

IUPAC2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide
SMILESO=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@@H]2C[C@@H]2F)C1.O=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@H]2C[C@H]2F)C1
InChIInChI=1S/2C29H26ClF4N9O5/c2*30-16-7-5-15(6-8-16)23-39-42(28(48)41(23)13-21(45)29(32,33)34)14-22-37-25(27(47)40-10-2-3-17(44)12-40)43(38-22)24-18(4-1-9-35-24)26(46)36-20-11-19(20)31/h2*1,4-9,19-21,45H,2-3,10-14H2,(H,36,46)/t19-,20+,21+;19-,20+,21-/m10/s1
InChIKeyAZWDEOLTIZAELG-MMXAOVSHSA-N
MW1384.06 g/mol
LogP3.92
Rot. Bonds18

About 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide

2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide (PubChem CID 157282806) has the molecular formula C58H52Cl2F8N18O10 and a molecular weight of 1384.06 g/mol. Its IUPAC name is 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide
PubChem CID157282806
Molecular FormulaC58H52Cl2F8N18O10
Molecular Weight1384.06 g/mol
Exact Mass1382.34
IUPAC Name2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide
SMILESO=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@@H]2C[C@@H]2F)C1.O=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@H]2C[C@H]2F)C1
InChIInChI=1S/2C29H26ClF4N9O5/c2*30-16-7-5-15(6-8-16)23-39-42(28(48)41(23)13-21(45)29(32,33)34)14-22-37-25(27(47)40-10-2-3-17(44)12-40)43(38-22)24-18(4-1-9-35-24)26(46)36-20-11-19(20)31/h2*1,4-9,19-21,45H,2-3,10-14H2,(H,36,46)/t19-,20+,21+;19-,20+,21-/m10/s1
InChIKeyAZWDEOLTIZAELG-MMXAOVSHSA-N
XLogP3.92
TPSA340.26 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001384.06
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide (CID 157282806) is 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide is O=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@@H]2C[C@@H]2F)C1.O=C1CCCN(C(=O)c2nc(Cn3nc(-c4ccc(Cl)cc4)n(C[C@H](O)C(F)(F)F)c3=O)nn2-c2ncccc2C(=O)N[C@H]2C[C@H]2F)C1.
What is the InChIKey of 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide?
The InChIKey is AZWDEOLTIZAELG-MMXAOVSHSA-N. The full InChI is InChI=1S/2C29H26ClF4N9O5/c2*30-16-7-5-15(6-8-16)23-39-42(28(48)41(23)13-21(45)29(32,33)34)14-22-37-25(27(47)40-10-2-3-17(44)12-40)43(38-22)24-18(4-1-9-35-24)26(46)36-20-11-19(20)31/h2*1,4-9,19-21,45H,2-3,10-14H2,(H,36,46)/t19-,20+,21+;19-,20+,21-/m10/s1.
What are the key properties of 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide?
2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide has a molecular weight of 1384.06 g/mol, XLogP of 3.92, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-3-carboxamide;2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-5-(3-oxopiperidine-1-carbonyl)-1,2,4-triazol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 157282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).