N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide

C23H20F5N7O — CID 162444456

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cn(-c2ccnc(C3CCN(CC(F)(F)F)CC3)c2)nn1
InChIInChI=1S/C23H20F5N7O/c24-16-8-15-19(9-17(16)25)30-10-20(15)31-22(36)21-11-35(33-32-21)14-1-4-29-18(7-14)13-2-5-34(6-3-13)12-23(26,27)28/h1,4,7-11,13,30H,2-3,5-6,12H2,(H,31,36)
InChIKeySWQKJSJCSCZJCY-UHFFFAOYSA-N
MW505.45 g/mol
LogP4.42
Rot. Bonds5

About N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide (PubChem CID 162444456) has the molecular formula C23H20F5N7O and a molecular weight of 505.45 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide
PubChem CID162444456
Molecular FormulaC23H20F5N7O
Molecular Weight505.45 g/mol
Exact Mass505.16
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cn(-c2ccnc(C3CCN(CC(F)(F)F)CC3)c2)nn1
InChIInChI=1S/C23H20F5N7O/c24-16-8-15-19(9-17(16)25)30-10-20(15)31-22(36)21-11-35(33-32-21)14-1-4-29-18(7-14)13-2-5-34(6-3-13)12-23(26,27)28/h1,4,7-11,13,30H,2-3,5-6,12H2,(H,31,36)
InChIKeySWQKJSJCSCZJCY-UHFFFAOYSA-N
XLogP4.42
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-chloropiperidin-1-yl)-5-fluoro-3-pyridinyl]-N-(5,6-difluoro-1H-indol-3-yl)triazole-4-carboxamide
CID 162444347
1-(5,6-difluoro-1H-indol-3-yl)-3-[5-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]urea
CID 156574301
N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 162445071
1-[5-chloro-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 156576782
1-[4-fluoro-5-(trifluoromethyl)-1H-indol-3-yl]-3-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-yl]urea
CID 170154674
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
1-(5-chloro-1H-indol-3-yl)-3-[5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]urea
CID 156574513
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide (CID 162444456) is N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cn(-c2ccnc(C3CCN(CC(F)(F)F)CC3)c2)nn1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide?
The InChIKey is SWQKJSJCSCZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N7O/c24-16-8-15-19(9-17(16)25)30-10-20(15)31-22(36)21-11-35(33-32-21)14-1-4-29-18(7-14)13-2-5-34(6-3-13)12-23(26,27)28/h1,4,7-11,13,30H,2-3,5-6,12H2,(H,31,36).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide has a molecular weight of 505.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 162444456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).