3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide

C21H14F2N4O — CID 156734028

IUPAC3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H14F2N4O/c22-14-9-13(10-15(23)11-14)21(28)25-17-5-7-20-18(12-17)19(26-27-20)6-4-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b6-4+
InChIKeyROWJAVCITQHSST-GQCTYLIASA-N
MW376.37 g/mol
LogP4.66
Rot. Bonds4

About 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide

3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide (PubChem CID 156734028) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide
PubChem CID156734028
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H14F2N4O/c22-14-9-13(10-15(23)11-14)21(28)25-17-5-7-20-18(12-17)19(26-27-20)6-4-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b6-4+
InChIKeyROWJAVCITQHSST-GQCTYLIASA-N
XLogP4.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
(3H)Cgs8216
CID 104916
N-(1H-indol-5-yl)benzamide
CID 2814138
4-fluoro-N-(1H-indol-5-yl)benzamide
CID 2814506
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
4-(4-fluorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11360518
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11548023

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide (CID 156734028) is 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide is O=C(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide?
The InChIKey is ROWJAVCITQHSST-GQCTYLIASA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-14-9-13(10-15(23)11-14)21(28)25-17-5-7-20-18(12-17)19(26-27-20)6-4-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b6-4+.
What are the key properties of 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide?
3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide has a molecular weight of 376.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzamide is sourced from PubChem (CID 156734028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).