methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate

C19H17N3O4 — CID 173122685

IUPACmethyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2n[nH]c(C=Cc3ccc(C(C)=O)nc3)c2c1OC
InChIInChI=1S/C19H17N3O4/c1-11(23)14-7-4-12(10-20-14)5-8-15-17-16(22-21-15)9-6-13(18(17)25-2)19(24)26-3/h4-10H,1-3H3,(H,21,22)
InChIKeyQEPIUJSKMAEMIO-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.13
Rot. Bonds5

About methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate

methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (PubChem CID 173122685) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
PubChem CID173122685
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2n[nH]c(C=Cc3ccc(C(C)=O)nc3)c2c1OC
InChIInChI=1S/C19H17N3O4/c1-11(23)14-7-4-12(10-20-14)5-8-15-17-16(22-21-15)9-6-13(18(17)25-2)19(24)26-3/h4-10H,1-3H3,(H,21,22)
InChIKeyQEPIUJSKMAEMIO-UHFFFAOYSA-N
XLogP3.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 173155122
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135987991
N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122854
3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 135987975
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
CID 59796910
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 136593738
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 135987909
N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 136648325
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The IUPAC name of methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (CID 173122685) is methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is COC(=O)c1ccc2n[nH]c(C=Cc3ccc(C(C)=O)nc3)c2c1OC.
What is the InChIKey of methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The InChIKey is QEPIUJSKMAEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(23)14-7-4-12(10-20-14)5-8-15-17-16(22-21-15)9-6-13(18(17)25-2)19(24)26-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is sourced from PubChem (CID 173122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).