5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N5O2 — CID 110132719

IUPAC5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1ccccn1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C17H17N5O2/c23-16-11-14(20-15-4-8-19-22(15)16)12-5-9-21(10-6-12)17(24)13-3-1-2-7-18-13/h1-4,7-8,11-12,19H,5-6,9-10H2
InChIKeyXFUGGSZWAJMVFE-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.44
Rot. Bonds2

About 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132719) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132719
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1ccccn1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C17H17N5O2/c23-16-11-14(20-15-4-8-19-22(15)16)12-5-9-21(10-6-12)17(24)13-3-1-2-7-18-13/h1-4,7-8,11-12,19H,5-6,9-10H2
InChIKeyXFUGGSZWAJMVFE-UHFFFAOYSA-N
XLogP1.44
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132719) is 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(c1ccccn1)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.
What is the InChIKey of 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XFUGGSZWAJMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16-11-14(20-15-4-8-19-22(15)16)12-5-9-21(10-6-12)17(24)13-3-1-2-7-18-13/h1-4,7-8,11-12,19H,5-6,9-10H2.
What are the key properties of 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).