[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

C16H14N4O5 — CID 2087463

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1
InChIInChI=1S/C16H14N4O5/c21-13(18-16(23)17-8-10-4-3-7-24-10)9-25-15(22)14-11-5-1-2-6-12(11)19-20-14/h1-7H,8-9H2,(H,19,20)(H2,17,18,21,23)
InChIKeyYBECUMBXTXNMPX-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.34
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2087463) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2087463
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1
InChIInChI=1S/C16H14N4O5/c21-13(18-16(23)17-8-10-4-3-7-24-10)9-25-15(22)14-11-5-1-2-6-12(11)19-20-14/h1-7H,8-9H2,(H,19,20)(H2,17,18,21,23)
InChIKeyYBECUMBXTXNMPX-UHFFFAOYSA-N
XLogP1.34
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
Ethyl 5-{[4-({[(5-methoxy-1H-indazol-3-yl)carbonyl]amino}methyl) piperidin-1-yl]methyl}furan-2-carboxylate
CID 89767412
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2117922
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2086118
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2377942
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2088134
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4552415
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-3-carboxamide
CID 4785784
N-(furan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 9119858
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1H-indazole-3-carboxamide
CID 49677419
1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244016

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2087463) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is YBECUMBXTXNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c21-13(18-16(23)17-8-10-4-3-7-24-10)9-25-15(22)14-11-5-1-2-6-12(11)19-20-14/h1-7H,8-9H2,(H,19,20)(H2,17,18,21,23).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 342.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2087463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).