methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate

C22H16FN3O3 — CID 22479838

IUPACmethyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-3-14(11-15)21(27)25-18-7-10-20-16(12-18)13-24-26(20)19-8-5-17(23)6-9-19/h2-13H,1H3,(H,25,27)
InChIKeyVCIFCURNWJVVSI-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.20
Rot. Bonds4

About methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate

methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate (PubChem CID 22479838) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate
PubChem CID22479838
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Namemethyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-3-14(11-15)21(27)25-18-7-10-20-16(12-18)13-24-26(20)19-8-5-17(23)6-9-19/h2-13H,1H3,(H,25,27)
InChIKeyVCIFCURNWJVVSI-UHFFFAOYSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818543
Ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818834
Ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818963
Ethyl 5-anilino-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818966
Methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
CID 118725458
3-({[1-(4-fluoro-phenyl)-1H-indazole-4-carbonyl]-amino}-methyl)-benzoic acid methyl ester
CID 58138832
2-[3-[(4-Methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]indazole-5-carboxylic acid
CID 118561137
Tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate
CID 45267540
3-({[1-(4-Fluoro-phenyl)-1H-indazole-4-carbonyl]-amino}-methyl)-benzoic acid
CID 58138764
3-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22480323
4-[[5-(Hexanoylamino)indazol-1-yl]methyl]benzoic acid
CID 14708676
4-[[5-(Hexanoylamino)indazol-2-yl]methyl]benzoic acid
CID 14708678

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate (CID 22479838) is methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate?
The InChIKey is VCIFCURNWJVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-3-14(11-15)21(27)25-18-7-10-20-16(12-18)13-24-26(20)19-8-5-17(23)6-9-19/h2-13H,1H3,(H,25,27).
What are the key properties of methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate?
methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate has a molecular weight of 389.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoate is sourced from PubChem (CID 22479838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).