N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H22F3N7O3 — CID 118172912

IUPACN-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F3N7O3/c27-26(28,29)22-3-1-2-21(32-22)24(38)31-19-4-5-20-18(14-19)15-36(33-20)16-23(37)34-10-12-35(13-11-34)25(39)17-6-8-30-9-7-17/h1-9,14-15H,10-13,16H2,(H,31,38)
InChIKeyNEAOIZKPIBFRDJ-UHFFFAOYSA-N
MW537.50 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172912) has the molecular formula C26H22F3N7O3 and a molecular weight of 537.50 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172912
Molecular FormulaC26H22F3N7O3
Molecular Weight537.50 g/mol
Exact Mass537.17
IUPAC NameN-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F3N7O3/c27-26(28,29)22-3-1-2-21(32-22)24(38)31-19-4-5-20-18(14-19)15-36(33-20)16-23(37)34-10-12-35(13-11-34)25(39)17-6-8-30-9-7-17/h1-9,14-15H,10-13,16H2,(H,31,38)
InChIKeyNEAOIZKPIBFRDJ-UHFFFAOYSA-N
XLogP3.08
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(1H-indol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646200
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193925
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
3-Methyl-3H-Pyrazol[4,3-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10269234

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172912) is N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NEAOIZKPIBFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O3/c27-26(28,29)22-3-1-2-21(32-22)24(38)31-19-4-5-20-18(14-19)15-36(33-20)16-23(37)34-10-12-35(13-11-34)25(39)17-6-8-30-9-7-17/h1-9,14-15H,10-13,16H2,(H,31,38).
What are the key properties of N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 537.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).