5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N5O2 — CID 172656577

IUPAC5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CCCCN1Cc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C17H17N5O2/c23-16-3-1-2-8-21(16)11-13-9-17(24)22-15(19-13)10-14(20-22)12-4-6-18-7-5-12/h4-7,9-10,20H,1-3,8,11H2
InChIKeyVDFSGCJPNPJJGC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.60
Rot. Bonds3

About 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172656577) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172656577
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CCCCN1Cc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C17H17N5O2/c23-16-3-1-2-8-21(16)11-13-9-17(24)22-15(19-13)10-14(20-22)12-4-6-18-7-5-12/h4-7,9-10,20H,1-3,8,11H2
InChIKeyVDFSGCJPNPJJGC-UHFFFAOYSA-N
XLogP1.60
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172656577) is 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C1CCCCN1Cc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1.
What is the InChIKey of 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VDFSGCJPNPJJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16-3-1-2-8-21(16)11-13-9-17(24)22-15(19-13)10-14(20-22)12-4-6-18-7-5-12/h4-7,9-10,20H,1-3,8,11H2.
What are the key properties of 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172656577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).