4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

C19H17N5O — CID 59607257

IUPAC4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(OC)cc3)nn3ccccc23)n1
InChIInChI=1S/C19H17N5O/c1-20-19-21-11-10-15(22-19)17-16-5-3-4-12-24(16)23-18(17)13-6-8-14(25-2)9-7-13/h3-12H,1-2H3,(H,20,21,22)
InChIKeyPECBTSGZPYKKPL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.51
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 59607257) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID59607257
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(OC)cc3)nn3ccccc23)n1
InChIInChI=1S/C19H17N5O/c1-20-19-21-11-10-15(22-19)17-16-5-3-4-12-24(16)23-18(17)13-6-8-14(25-2)9-7-13/h3-12H,1-2H3,(H,20,21,22)
InChIKeyPECBTSGZPYKKPL-UHFFFAOYSA-N
XLogP3.51
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 59607257) is 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(-c3ccc(OC)cc3)nn3ccccc23)n1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is PECBTSGZPYKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-20-19-21-11-10-15(22-19)17-16-5-3-4-12-24(16)23-18(17)13-6-8-14(25-2)9-7-13/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 59607257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).