6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine

C22H21FN4O — CID 70879658

IUPAC6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine
SMILESCOc1cccc(-c2cc(C)cc3c(-c4ncc(N)cc4C)c(C)nn23)c1F
InChIInChI=1S/C22H21FN4O/c1-12-8-17(16-6-5-7-19(28-4)21(16)23)27-18(9-12)20(14(3)26-27)22-13(2)10-15(24)11-25-22/h5-11H,24H2,1-4H3
InChIKeyCQSCQMMQWGEHMG-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.72
Rot. Bonds3

About 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine

6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine (PubChem CID 70879658) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine
PubChem CID70879658
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine
SMILESCOc1cccc(-c2cc(C)cc3c(-c4ncc(N)cc4C)c(C)nn23)c1F
InChIInChI=1S/C22H21FN4O/c1-12-8-17(16-6-5-7-19(28-4)21(16)23)27-18(9-12)20(14(3)26-27)22-13(2)10-15(24)11-25-22/h5-11H,24H2,1-4H3
InChIKeyCQSCQMMQWGEHMG-UHFFFAOYSA-N
XLogP4.72
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine?
The IUPAC name of 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine (CID 70879658) is 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine.
What is the SMILES notation for 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine?
The canonical SMILES for 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine is COc1cccc(-c2cc(C)cc3c(-c4ncc(N)cc4C)c(C)nn23)c1F.
What is the InChIKey of 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine?
The InChIKey is CQSCQMMQWGEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-12-8-17(16-6-5-7-19(28-4)21(16)23)27-18(9-12)20(14(3)26-27)22-13(2)10-15(24)11-25-22/h5-11H,24H2,1-4H3.
What are the key properties of 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine?
6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine has a molecular weight of 376.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-5-methylpyridin-3-amine is sourced from PubChem (CID 70879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).