3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

C20H24N6O — CID 126943045

IUPAC3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=c1cc(-c2cccnc2)ncn1CC1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c27-20-13-19(18-3-1-6-21-14-18)22-16-25(20)15-17-4-9-24(10-5-17)11-12-26-8-2-7-23-26/h1-3,6-8,13-14,16-17H,4-5,9-12,15H2
InChIKeyJYQLPHAEGMBBKS-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.91
Rot. Bonds6

About 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 126943045) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID126943045
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=c1cc(-c2cccnc2)ncn1CC1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c27-20-13-19(18-3-1-6-21-14-18)22-16-25(20)15-17-4-9-24(10-5-17)11-12-26-8-2-7-23-26/h1-3,6-8,13-14,16-17H,4-5,9-12,15H2
InChIKeyJYQLPHAEGMBBKS-UHFFFAOYSA-N
XLogP1.91
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 126943045) is 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is O=c1cc(-c2cccnc2)ncn1CC1CCN(CCn2cccn2)CC1.
What is the InChIKey of 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is JYQLPHAEGMBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20-13-19(18-3-1-6-21-14-18)22-16-25(20)15-17-4-9-24(10-5-17)11-12-26-8-2-7-23-26/h1-3,6-8,13-14,16-17H,4-5,9-12,15H2.
What are the key properties of 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126943045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).