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

C25H22F3N7O2 — CID 118172862

IUPACN-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(c4ccccn4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H22F3N7O2/c26-25(27,28)21-5-3-4-20(31-21)24(37)30-18-7-8-19-17(14-18)15-35(32-19)16-23(36)34-12-10-33(11-13-34)22-6-1-2-9-29-22/h1-9,14-15H,10-13,16H2,(H,30,37)
InChIKeyJLEJMVNMLUZEEN-UHFFFAOYSA-N
MW509.49 g/mol
LogP3.45
Rot. Bonds5

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

N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172862) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172862
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC NameN-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(c4ccccn4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H22F3N7O2/c26-25(27,28)21-5-3-4-20(31-21)24(37)30-18-7-8-19-17(14-18)15-35(32-19)16-23(36)34-12-10-33(11-13-34)22-6-1-2-9-29-22/h1-9,14-15H,10-13,16H2,(H,30,37)
InChIKeyJLEJMVNMLUZEEN-UHFFFAOYSA-N
XLogP3.45
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk 343
CID 71268957
Unc1999
CID 72551585
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
N-[2-[4-[ethyl-[3-(isopropylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide
CID 462977
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462978
1-((5-(Trifluoroacetylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454730
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidazo[4,5-b]pyridin-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646189
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646190
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-c]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646191
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-b]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646192
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172862) is N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(c4ccccn4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JLEJMVNMLUZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c26-25(27,28)21-5-3-4-20(31-21)24(37)30-18-7-8-19-17(14-18)15-35(32-19)16-23(36)34-12-10-33(11-13-34)22-6-1-2-9-29-22/h1-9,14-15H,10-13,16H2,(H,30,37).
What are the key properties of N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 3.45, 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-pyridin-2-ylpiperazin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).