[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

C20H15N3O3 — CID 2478469

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C20H15N3O3/c24-18(21-16-11-5-7-13-6-1-2-8-14(13)16)12-26-20(25)19-15-9-3-4-10-17(15)22-23-19/h1-11H,12H2,(H,21,24)(H,22,23)
InChIKeyBVEZOKRQCJFOGM-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.51
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2478469) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2478469
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C20H15N3O3/c24-18(21-16-11-5-7-13-6-1-2-8-14(13)16)12-26-20(25)19-15-9-3-4-10-17(15)22-23-19/h1-11H,12H2,(H,21,24)(H,22,23)
InChIKeyBVEZOKRQCJFOGM-UHFFFAOYSA-N
XLogP3.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1H-indazole-3-carboxylate
CID 4676467
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956451
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2540932
dimethyl 2-[[2-(1H-indazole-3-carbonyloxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2534710
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 5100922
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2379218
[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 99434673
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2541117
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 35974949

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2478469) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is BVEZOKRQCJFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-18(21-16-11-5-7-13-6-1-2-8-14(13)16)12-26-20(25)19-15-9-3-4-10-17(15)22-23-19/h1-11H,12H2,(H,21,24)(H,22,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2478469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).