[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone

C23H19N3O — CID 142037641

IUPAC[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
SMILESCNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+
InChIKeyQYSFHZDOHPTMJD-JLHYYAGUSA-N
MW353.43 g/mol
LogP5.01
Rot. Bonds5

About [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone

[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone (PubChem CID 142037641) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
PubChem CID142037641
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
SMILESCNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+
InChIKeyQYSFHZDOHPTMJD-JLHYYAGUSA-N
XLogP5.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 134151491
(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134146773
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanol;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 158718696
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
CID 134152211
1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 134137572
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
[3-[[(E)-but-2-enyl]amino]phenyl]-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone
CID 70128556

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The IUPAC name of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone (CID 142037641) is [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone.
What is the SMILES notation for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The canonical SMILES for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone is CNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The InChIKey is QYSFHZDOHPTMJD-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+.
What are the key properties of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone is sourced from PubChem (CID 142037641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).