5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H22N6O3 — CID 110216075

IUPAC5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3C(=O)Cn3cccnc3=O)cc2n1
InChIInChI=1S/C19H22N6O3/c1-2-13-10-17(26)25-16(21-13)11-14(22-25)15-6-3-4-9-24(15)18(27)12-23-8-5-7-20-19(23)28/h5,7-8,10-11,15,22H,2-4,6,9,12H2,1H3
InChIKeyZIXJANILYFCEHF-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.90
Rot. Bonds4

About 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216075) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216075
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3C(=O)Cn3cccnc3=O)cc2n1
InChIInChI=1S/C19H22N6O3/c1-2-13-10-17(26)25-16(21-13)11-14(22-25)15-6-3-4-9-24(15)18(27)12-23-8-5-7-20-19(23)28/h5,7-8,10-11,15,22H,2-4,6,9,12H2,1H3
InChIKeyZIXJANILYFCEHF-UHFFFAOYSA-N
XLogP0.90
TPSA105.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214826
2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216072
5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061971
5-ethyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215994
5-ethyl-2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46955804
1-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 125021644
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215997
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 97118253

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216075) is 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C3CCCCN3C(=O)Cn3cccnc3=O)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZIXJANILYFCEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-2-13-10-17(26)25-16(21-13)11-14(22-25)15-6-3-4-9-24(15)18(27)12-23-8-5-7-20-19(23)28/h5,7-8,10-11,15,22H,2-4,6,9,12H2,1H3.
What are the key properties of 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 382.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).