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

C22H16FN3O3 — CID 22479901

IUPACmethyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-14(3-5-15)21(27)24-17-10-11-19-18(12-17)20(26-25-19)13-6-8-16(23)9-7-13/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyPFPKMNBCOSJBCC-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.41
Rot. Bonds4

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

methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate (PubChem CID 22479901) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
PubChem CID22479901
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Namemethyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-14(3-5-15)21(27)24-17-10-11-19-18(12-17)20(26-25-19)13-6-8-16(23)9-7-13/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyPFPKMNBCOSJBCC-UHFFFAOYSA-N
XLogP4.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
CID 71190825
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
CID 35372978
N-[3-(4-phosphanylphenyl)-1H-indazol-5-yl]acetamide
CID 143488725
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate (CID 22479901) is methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate?
The InChIKey is PFPKMNBCOSJBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-29-22(28)15-4-2-14(3-5-15)21(27)24-17-10-11-19-18(12-17)20(26-25-19)13-6-8-16(23)9-7-13/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate?
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate has a molecular weight of 389.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate is sourced from PubChem (CID 22479901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).