2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one

C17H18N6O — CID 25073750

IUPAC2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H18N6O/c24-17-14(13-5-4-6-18-10-13)11-21-23(17)16-9-15(19-12-20-16)22-7-2-1-3-8-22/h4-6,9-12,21H,1-3,7-8H2
InChIKeyNUZWTGHWCJTQMI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.01
Rot. Bonds3

About 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one

2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 25073750) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID25073750
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H18N6O/c24-17-14(13-5-4-6-18-10-13)11-21-23(17)16-9-15(19-12-20-16)22-7-2-1-3-8-22/h4-6,9-12,21H,1-3,7-8H2
InChIKeyNUZWTGHWCJTQMI-UHFFFAOYSA-N
XLogP2.01
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one (CID 25073750) is 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one is O=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is NUZWTGHWCJTQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17-14(13-5-4-6-18-10-13)11-21-23(17)16-9-15(19-12-20-16)22-7-2-1-3-8-22/h4-6,9-12,21H,1-3,7-8H2.
What are the key properties of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one?
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 322.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 25073750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).