[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate

C22H25N3O3 — CID 7956451

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(26)12-28-22(27)21-17-8-5-6-11-18(17)24-25-21/h5-11,13-14H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySSPDMUWSROEDMS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.61
Rot. Bonds6

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 7956451) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID7956451
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(26)12-28-22(27)21-17-8-5-6-11-18(17)24-25-21/h5-11,13-14H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySSPDMUWSROEDMS-UHFFFAOYSA-N
XLogP4.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2,6-di(propan-2-yl)anilino]-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-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2379218
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2479149
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 46795320
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1H-indazole-3-carboxylate
CID 4676467
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 5100922
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534537

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 7956451) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate is CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is SSPDMUWSROEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(26)12-28-22(27)21-17-8-5-6-11-18(17)24-25-21/h5-11,13-14H,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7956451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).