methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate

C21H16FN3O2 — CID 86715493

IUPACmethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12
InChIInChI=1S/C21H16FN3O2/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2/h3-11H,1-2H3,(H,24,25)
InChIKeyCOZDXKXDFVMPTI-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.53
Rot. Bonds3

About methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate

methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate (PubChem CID 86715493) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate
PubChem CID86715493
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Namemethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12
InChIInChI=1S/C21H16FN3O2/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2/h3-11H,1-2H3,(H,24,25)
InChIKeyCOZDXKXDFVMPTI-UHFFFAOYSA-N
XLogP4.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate?
The IUPAC name of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate (CID 86715493) is methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate is COC(=O)c1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc2cn[nH]c12.
What is the InChIKey of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate?
The InChIKey is COZDXKXDFVMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-12-8-13(5-6-18(12)22)19-16(4-3-7-23-19)14-9-15-11-24-25-20(15)17(10-14)21(26)27-2/h3-11H,1-2H3,(H,24,25).
What are the key properties of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate?
methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate has a molecular weight of 361.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate is sourced from PubChem (CID 86715493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).