methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate

C23H18F2N2O3 — CID 139578609

IUPACmethyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(OC(F)F)cc2cnn(Cc3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C23H18F2N2O3/c1-29-22(28)20-12-19(30-23(24)25)11-18-13-26-27(21(18)20)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13,23H,14H2,1H3
InChIKeyLZNYCHXZVYZHQR-UHFFFAOYSA-N
MW408.40 g/mol
LogP5.14
Rot. Bonds6

About methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate

methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate (PubChem CID 139578609) has the molecular formula C23H18F2N2O3 and a molecular weight of 408.40 g/mol. Its IUPAC name is methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate
PubChem CID139578609
Molecular FormulaC23H18F2N2O3
Molecular Weight408.40 g/mol
Exact Mass408.13
IUPAC Namemethyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(OC(F)F)cc2cnn(Cc3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C23H18F2N2O3/c1-29-22(28)20-12-19(30-23(24)25)11-18-13-26-27(21(18)20)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13,23H,14H2,1H3
InChIKeyLZNYCHXZVYZHQR-UHFFFAOYSA-N
XLogP5.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451651
Ethyl 4-[1-[(2-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451655
2-[4-[(4-Carbamoylphenyl)methoxy]phenyl]indazole-7-carboxamide
CID 168276619
2-[4-[[4-[(E)-3-amino-3-oxoprop-1-enyl]phenyl]methoxy]phenyl]indazole-7-carboxamide
CID 168295232
4-[1-[(4-Fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 155561786
3-[5-[[4-(3-Fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134809401
3-Fluoro-4-[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]benzoic acid
CID 73295034
3-Fluoro-4-[4-fluoro-1-[(2-methoxyphenyl)methyl]indazol-3-yl]benzoic acid
CID 73295035
3-Fluoro-4-[4-fluoro-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]benzoic acid
CID 73295206
3-[5-[[4-(2-Fluoro-3-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134808800
3-{4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]phenoxy}benzoic acid
CID 11511476
Methyl 3-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]benzoate
CID 11511895

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate?
The IUPAC name of methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate (CID 139578609) is methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate?
The canonical SMILES for methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate is COC(=O)c1cc(OC(F)F)cc2cnn(Cc3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate?
The InChIKey is LZNYCHXZVYZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3/c1-29-22(28)20-12-19(30-23(24)25)11-18-13-26-27(21(18)20)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13,23H,14H2,1H3.
What are the key properties of methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate?
methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate has a molecular weight of 408.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethoxy)-1-[(4-phenylphenyl)methyl]indazole-7-carboxylate is sourced from PubChem (CID 139578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).