[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C23H24N6O2 — CID 135300344

IUPAC[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cnn(C)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C23H24N6O2/c1-27-15-17(14-24-27)21-12-19(16-6-8-18(31-2)9-7-16)25-22-13-20(26-29(21)22)23(30)28-10-4-3-5-11-28/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyYAIRVIIDTJIASN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.43
Rot. Bonds4

About [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300344) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300344
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cnn(C)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C23H24N6O2/c1-27-15-17(14-24-27)21-12-19(16-6-8-18(31-2)9-7-16)25-22-13-20(26-29(21)22)23(30)28-10-4-3-5-11-28/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyYAIRVIIDTJIASN-UHFFFAOYSA-N
XLogP3.43
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300344) is [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3cnn(C)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is YAIRVIIDTJIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-27-15-17(14-24-27)21-12-19(16-6-8-18(31-2)9-7-16)25-22-13-20(26-29(21)22)23(30)28-10-4-3-5-11-28/h6-9,12-15H,3-5,10-11H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 416.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).