5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N5O2 — CID 172668658

IUPAC5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)N1CCCC1=O
InChIInChI=1S/C17H17N5O2/c1-11(21-7-3-5-16(21)23)13-9-17(24)22-15(19-13)8-14(20-22)12-4-2-6-18-10-12/h2,4,6,8-11,20H,3,5,7H2,1H3
InChIKeyOYKXHADMICBRPD-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.77
Rot. Bonds3

About 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172668658) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172668658
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)N1CCCC1=O
InChIInChI=1S/C17H17N5O2/c1-11(21-7-3-5-16(21)23)13-9-17(24)22-15(19-13)8-14(20-22)12-4-2-6-18-10-12/h2,4,6,8-11,20H,3,5,7H2,1H3
InChIKeyOYKXHADMICBRPD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172655672
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]acetamide
CID 98134860
5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110239180
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172656577
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58200639
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
CID 70115817
1-[(1S)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-2-one
CID 95046386
cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one
CID 159188191
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
CID 172517182

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172668658) is 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)N1CCCC1=O.
What is the InChIKey of 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OYKXHADMICBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11(21-7-3-5-16(21)23)13-9-17(24)22-15(19-13)8-14(20-22)12-4-2-6-18-10-12/h2,4,6,8-11,20H,3,5,7H2,1H3.
What are the key properties of 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).