ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate

C16H15N3O4 — CID 71976298

IUPACethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)o1
InChIInChI=1S/C16H15N3O4/c1-2-22-16(21)13-8-7-10(23-13)9-17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyLINVAFXJDNZGQI-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.26
Rot. Bonds5

About ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate

ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate (PubChem CID 71976298) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
PubChem CID71976298
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Nameethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)o1
InChIInChI=1S/C16H15N3O4/c1-2-22-16(21)13-8-7-10(23-13)9-17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyLINVAFXJDNZGQI-UHFFFAOYSA-N
XLogP2.26
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate
CID 170365162
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 53195608

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate (CID 71976298) is ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)o1.
What is the InChIKey of ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate?
The InChIKey is LINVAFXJDNZGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-22-16(21)13-8-7-10(23-13)9-17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate?
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 71976298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).