ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate

C25H27N3O4 — CID 71818963

IUPACethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CCCCC3)cc12
InChIInChI=1S/C25H27N3O4/c1-3-32-25(31)22-20-15-19(26-23(29)17-9-5-4-6-10-17)12-13-21(20)28(27-22)24(30)18-11-7-8-16(2)14-18/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,26,29)
InChIKeySPZFWGLIGJYXRE-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.73
Rot. Bonds5

About ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate

ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 71818963) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID71818963
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nameethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CCCCC3)cc12
InChIInChI=1S/C25H27N3O4/c1-3-32-25(31)22-20-15-19(26-23(29)17-9-5-4-6-10-17)12-13-21(20)28(27-22)24(30)18-11-7-8-16(2)14-18/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,26,29)
InChIKeySPZFWGLIGJYXRE-UHFFFAOYSA-N
XLogP4.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)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

ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818834
ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818543
ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819249
ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819252
ethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13302089
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
ethyl 3-(piperidine-3-carbonylamino)benzoate
CID 61260625
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-[9-ethyl-6-(hydroxymethyl)carbazol-3-yl]cyclohexanecarboxamide
CID 143174417

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate (CID 71818963) is ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CCCCC3)cc12.
What is the InChIKey of ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is SPZFWGLIGJYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-32-25(31)22-20-15-19(26-23(29)17-9-5-4-6-10-17)12-13-21(20)28(27-22)24(30)18-11-7-8-16(2)14-18/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,26,29).
What are the key properties of ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 71818963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).