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

C25H21N3O4 — CID 71818834

IUPACethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C25H21N3O4/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/h4-15H,3H2,1-2H3,(H,26,29)
InChIKeyPYJUFSOZBSGZPK-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.46
Rot. Bonds5

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

ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 71818834) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID71818834
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Nameethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C25H21N3O4/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/h4-15H,3H2,1-2H3,(H,26,29)
InChIKeyPYJUFSOZBSGZPK-UHFFFAOYSA-N
XLogP4.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818543
ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818963
ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819249
ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819252
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17252370
1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
CID 56670017
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate (CID 71818834) is ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 5-benzamido-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-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is PYJUFSOZBSGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/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/h4-15H,3H2,1-2H3,(H,26,29).
What are the key properties of ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate?
ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 427.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 71818834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).