4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid

C23H17F2N3O4 — CID 24954851

IUPAC4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H17F2N3O4/c24-23(25)32-17-11-5-14(6-12-17)13-28-19-4-2-1-3-18(19)20(27-28)26-21(29)15-7-9-16(10-8-15)22(30)31/h1-12,23H,13H2,(H,30,31)(H,26,27,29)
InChIKeyQCIBMQCLMCMHHY-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.64
Rot. Bonds7

About 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid

4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid (PubChem CID 24954851) has the molecular formula C23H17F2N3O4 and a molecular weight of 437.40 g/mol. Its IUPAC name is 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid
PubChem CID24954851
Molecular FormulaC23H17F2N3O4
Molecular Weight437.40 g/mol
Exact Mass437.12
IUPAC Name4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H17F2N3O4/c24-23(25)32-17-11-5-14(6-12-17)13-28-19-4-2-1-3-18(19)20(27-28)26-21(29)15-7-9-16(10-8-15)22(30)31/h1-12,23H,13H2,(H,30,31)(H,26,27,29)
InChIKeyQCIBMQCLMCMHHY-UHFFFAOYSA-N
XLogP4.64
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid (CID 24954851) is 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid?
The InChIKey is QCIBMQCLMCMHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4/c24-23(25)32-17-11-5-14(6-12-17)13-28-19-4-2-1-3-18(19)20(27-28)26-21(29)15-7-9-16(10-8-15)22(30)31/h1-12,23H,13H2,(H,30,31)(H,26,27,29).
What are the key properties of 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid?
4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid has a molecular weight of 437.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 24954851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).