1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one

C18H17N5O — CID 58336742

IUPAC1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1cccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C18H17N5O/c24-18-8-1-2-10-22(18)17-7-3-6-16(21-17)14-11-20-23(13-14)15-5-4-9-19-12-15/h3-7,9,11-13H,1-2,8,10H2
InChIKeyYSIVRCBGMRJUCQ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds3

About 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one

1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one (PubChem CID 58336742) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
PubChem CID58336742
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1cccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C18H17N5O/c24-18-8-1-2-10-22(18)17-7-3-6-16(21-17)14-11-20-23(13-14)15-5-4-9-19-12-15/h3-7,9,11-13H,1-2,8,10H2
InChIKeyYSIVRCBGMRJUCQ-UHFFFAOYSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one?
The IUPAC name of 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one (CID 58336742) is 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one?
The canonical SMILES for 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one is O=C1CCCCN1c1cccc(-c2cnn(-c3cccnc3)c2)n1.
What is the InChIKey of 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one?
The InChIKey is YSIVRCBGMRJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18-8-1-2-10-22(18)17-7-3-6-16(21-17)14-11-20-23(13-14)15-5-4-9-19-12-15/h3-7,9,11-13H,1-2,8,10H2.
What are the key properties of 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one?
1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 58336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).