5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole

C20H15ClFN3O — CID 175809986

IUPAC5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
SMILESCOc1cc(-c2ccc(Cn3ncc4cc(Cl)ccc43)cn2)ccc1F
InChIInChI=1S/C20H15ClFN3O/c1-26-20-9-14(3-5-17(20)22)18-6-2-13(10-23-18)12-25-19-7-4-16(21)8-15(19)11-24-25/h2-11H,12H2,1H3
InChIKeyLZCSCAAIBNCISH-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.95
Rot. Bonds4

About 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole

5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole (PubChem CID 175809986) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole.

Molecular Properties

Compound Name5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
PubChem CID175809986
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
SMILESCOc1cc(-c2ccc(Cn3ncc4cc(Cl)ccc43)cn2)ccc1F
InChIInChI=1S/C20H15ClFN3O/c1-26-20-9-14(3-5-17(20)22)18-6-2-13(10-23-18)12-25-19-7-4-16(21)8-15(19)11-24-25/h2-11H,12H2,1H3
InChIKeyLZCSCAAIBNCISH-UHFFFAOYSA-N
XLogP4.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
methyl 5-chloro-1-[[2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxylate
CID 166161814
5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810046
5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole
CID 175809908
2-(1-ethylindazol-5-yl)-N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 118961979
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
1-benzyl-5,6-dimethoxyindazole
CID 83414174
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine
CID 172754671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole?
The IUPAC name of 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole (CID 175809986) is 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole.
What is the SMILES notation for 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole?
The canonical SMILES for 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole is COc1cc(-c2ccc(Cn3ncc4cc(Cl)ccc43)cn2)ccc1F.
What is the InChIKey of 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole?
The InChIKey is LZCSCAAIBNCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-26-20-9-14(3-5-17(20)22)18-6-2-13(10-23-18)12-25-19-7-4-16(21)8-15(19)11-24-25/h2-11H,12H2,1H3.
What are the key properties of 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole?
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole has a molecular weight of 367.81 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole is sourced from PubChem (CID 175809986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).