methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate

C14H12N2O4 — CID 168527751

IUPACmethyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(-c3ccco3)c12
InChIInChI=1S/C14H12N2O4/c1-18-10-6-5-8(9-4-3-7-20-9)11-12(10)15-16-13(11)14(17)19-2/h3-7H,1-2H3,(H,15,16)
InChIKeyVRCCHANNHCQBLL-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.62
Rot. Bonds3

About methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate

methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate (PubChem CID 168527751) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
PubChem CID168527751
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namemethyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(-c3ccco3)c12
InChIInChI=1S/C14H12N2O4/c1-18-10-6-5-8(9-4-3-7-20-9)11-12(10)15-16-13(11)14(17)19-2/h3-7H,1-2H3,(H,15,16)
InChIKeyVRCCHANNHCQBLL-UHFFFAOYSA-N
XLogP2.62
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
CID 168652236
methyl 7-methoxy-4-nitro-2H-indazole-3-carboxylate
CID 71811115
methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
CID 168514912
7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
CID 168525503
dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
CID 5256064
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14284076
[3-acetyloxy-2-[3-(furan-2-yl)-2,6-dimethoxyphenyl]phenyl] acetate
CID 138969494
methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate
CID 59728955

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate?
The IUPAC name of methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate (CID 168527751) is methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate?
The canonical SMILES for methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate is COC(=O)c1[nH]nc2c(OC)ccc(-c3ccco3)c12.
What is the InChIKey of methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate?
The InChIKey is VRCCHANNHCQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-18-10-6-5-8(9-4-3-7-20-9)11-12(10)15-16-13(11)14(17)19-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate?
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate is sourced from PubChem (CID 168527751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).