5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole

C19H15ClN4O — CID 175810220

IUPAC5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
SMILESCOc1ccc(-c2ncc(Cn3ncc4cc(Cl)ccc43)cn2)cc1
InChIInChI=1S/C19H15ClN4O/c1-25-17-5-2-14(3-6-17)19-21-9-13(10-22-19)12-24-18-7-4-16(20)8-15(18)11-23-24/h2-11H,12H2,1H3
InChIKeyKRWLXXBJDURKTC-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole

5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole (PubChem CID 175810220) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole.

Molecular Properties

Compound Name5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
PubChem CID175810220
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
SMILESCOc1ccc(-c2ncc(Cn3ncc4cc(Cl)ccc43)cn2)cc1
InChIInChI=1S/C19H15ClN4O/c1-25-17-5-2-14(3-6-17)19-21-9-13(10-22-19)12-24-18-7-4-16(20)8-15(18)11-23-24/h2-11H,12H2,1H3
InChIKeyKRWLXXBJDURKTC-UHFFFAOYSA-N
XLogP4.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810046
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
CID 175809986
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
methyl 5-chloro-1-[[2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxylate
CID 166161814
5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052
5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide
CID 166161854
1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
CID 159219786
5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
CID 166161853
[1-[(4-methoxyphenyl)methyl]indazol-6-yl]hydrazine
CID 155304137
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The IUPAC name of 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole (CID 175810220) is 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole.
What is the SMILES notation for 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The canonical SMILES for 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole is COc1ccc(-c2ncc(Cn3ncc4cc(Cl)ccc43)cn2)cc1.
What is the InChIKey of 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The InChIKey is KRWLXXBJDURKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-25-17-5-2-14(3-6-17)19-21-9-13(10-22-19)12-24-18-7-4-16(20)8-15(18)11-23-24/h2-11H,12H2,1H3.
What are the key properties of 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole has a molecular weight of 350.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole is sourced from PubChem (CID 175810220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).