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

C24H23N5O2 — CID 135300374

IUPAC[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3
InChIKeyXVZVEAYJAGJVFY-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.09
Rot. Bonds4

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

[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300374) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300374
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3
InChIKeyXVZVEAYJAGJVFY-UHFFFAOYSA-N
XLogP4.09
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300374) is [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3ccccn3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is XVZVEAYJAGJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-18-10-8-17(9-11-18)20-15-22(19-7-3-4-12-25-19)29-23(26-20)16-21(27-29)24(30)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 413.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).