N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide

C22H20N6O3S — CID 134139530

IUPACN'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C22H20N6O3S/c1-32(30,31)28-27-22(29)18-7-2-3-8-19(18)24-16-9-11-17-20(25-26-21(17)14-16)12-10-15-6-4-5-13-23-15/h2-14,24,28H,1H3,(H,25,26)(H,27,29)/b12-10+
InChIKeyCCGJSGYTRQBUDF-ZRDIBKRKSA-N
MW448.51 g/mol
LogP3.07
Rot. Bonds7

About N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide

N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide (PubChem CID 134139530) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide.

Molecular Properties

Compound NameN'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
PubChem CID134139530
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C22H20N6O3S/c1-32(30,31)28-27-22(29)18-7-2-3-8-19(18)24-16-9-11-17-20(25-26-21(17)14-16)12-10-15-6-4-5-13-23-15/h2-14,24,28H,1H3,(H,25,26)(H,27,29)/b12-10+
InChIKeyCCGJSGYTRQBUDF-ZRDIBKRKSA-N
XLogP3.07
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134158044
N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134135082
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134140703
N-[(2-methylphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134137452
N-butan-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134156418
N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
CID 69353118
N-(1,3-dihydroxypropan-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134136143
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 134139398
N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134134475
N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134131728
N-[2-(4-aminophenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134138951
2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide
CID 91286597

Frequently Asked Questions

What is the IUPAC name of N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide?
The IUPAC name of N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide (CID 134139530) is N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide.
What is the SMILES notation for N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide?
The canonical SMILES for N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide is CS(=O)(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide?
The InChIKey is CCGJSGYTRQBUDF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-32(30,31)28-27-22(29)18-7-2-3-8-19(18)24-16-9-11-17-20(25-26-21(17)14-16)12-10-15-6-4-5-13-23-15/h2-14,24,28H,1H3,(H,25,26)(H,27,29)/b12-10+.
What are the key properties of N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide?
N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide has a molecular weight of 448.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide is sourced from PubChem (CID 134139530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).