methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate

C24H20N4O4 — CID 71588270

IUPACmethyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1
InChIInChI=1S/C24H20N4O4/c1-32-24(31)17-11-9-16(10-12-17)23(30)26-18-6-4-5-15(13-18)14-28-20-8-3-2-7-19(20)21(27-28)22(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyBRFYJRFDMKHBCL-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.22
Rot. Bonds6

About methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate

methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate (PubChem CID 71588270) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate
PubChem CID71588270
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Namemethyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1
InChIInChI=1S/C24H20N4O4/c1-32-24(31)17-11-9-16(10-12-17)23(30)26-18-6-4-5-15(13-18)14-28-20-8-3-2-7-19(20)21(27-28)22(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyBRFYJRFDMKHBCL-UHFFFAOYSA-N
XLogP3.22
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate with MolForge

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Related Compounds

1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
CID 10132921
4-[2-[4-[[(1-Propan-2-ylindazole-3-carbonyl)amino]methyl]piperidin-1-yl]ethyl]benzoic acid
CID 68490431
Mfubinac
CID 58124744
N-(2-(4-((Benzyloxycarbonyl)amino)-1-piperidinyl)-ethyl)-1-isopropylindazole-3-carboxamide Oxalate
CID 11798310
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602
Ethyl 4-(1-methylindazol-3-yl)benzoate
CID 44451627
Methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-6-carboxylate
CID 130299662
Methyl 1-methyl-1H-indazole-6-carboxylate
CID 22598983
3-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
CID 645762
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
CID 11958421

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate (CID 71588270) is methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1.
What is the InChIKey of methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate?
The InChIKey is BRFYJRFDMKHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-32-24(31)17-11-9-16(10-12-17)23(30)26-18-6-4-5-15(13-18)14-28-20-8-3-2-7-19(20)21(27-28)22(25)29/h2-13H,14H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate?
methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate has a molecular weight of 428.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(3-carbamoylindazol-1-yl)methyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 71588270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).