formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide

C17H12F3N7O3 — CID 163341523

IUPACformic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1cccc(-n2cnnc2)n1.O=CO
InChIInChI=1S/C16H10F3N7O.CH2O2/c17-16(18,19)9-4-5-10-12(6-9)24-25-14(10)23-15(27)11-2-1-3-13(22-11)26-7-20-21-8-26;2-1-3/h1-8H,(H2,23,24,25,27);1H,(H,2,3)
InChIKeyQKYYTWGFUOAFJH-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.51
Rot. Bonds3

About formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide

formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide (PubChem CID 163341523) has the molecular formula C17H12F3N7O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide
PubChem CID163341523
Molecular FormulaC17H12F3N7O3
Molecular Weight419.32 g/mol
Exact Mass419.10
IUPAC Nameformic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1cccc(-n2cnnc2)n1.O=CO
InChIInChI=1S/C16H10F3N7O.CH2O2/c17-16(18,19)9-4-5-10-12(6-9)24-25-14(10)23-15(27)11-2-1-3-13(22-11)26-7-20-21-8-26;2-1-3/h1-8H,(H2,23,24,25,27);1H,(H,2,3)
InChIKeyQKYYTWGFUOAFJH-UHFFFAOYSA-N
XLogP2.51
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
N-[N'-tert-butyl-N-[6-(trifluoromethyl)-1H-indazol-3-yl]carbamimidoyl]-4-fluorobenzamide
CID 72944195
2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
CID 162631038
N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 167757257
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
CID 84709123
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide (CID 163341523) is formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide is O=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1cccc(-n2cnnc2)n1.O=CO.
What is the InChIKey of formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide?
The InChIKey is QKYYTWGFUOAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O.CH2O2/c17-16(18,19)9-4-5-10-12(6-9)24-25-14(10)23-15(27)11-2-1-3-13(22-11)26-7-20-21-8-26;2-1-3/h1-8H,(H2,23,24,25,27);1H,(H,2,3).
What are the key properties of formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide?
formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 163341523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).