4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C18H22N6O — CID 136847948

IUPAC4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n2nccc2n1
InChIInChI=1S/C18H22N6O/c1-3-14-9-18(24-16(22-14)6-7-19-24)23-8-4-5-13(11-23)15-10-17(25)21-12(2)20-15/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,20,21,25)/t13-/m0/s1
InChIKeyWWFLBMCMOAYXQH-ZDUSSCGKSA-N
MW338.42 g/mol
LogP2.07
Rot. Bonds3

About 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136847948) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136847948
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n2nccc2n1
InChIInChI=1S/C18H22N6O/c1-3-14-9-18(24-16(22-14)6-7-19-24)23-8-4-5-13(11-23)15-10-17(25)21-12(2)20-15/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,20,21,25)/t13-/m0/s1
InChIKeyWWFLBMCMOAYXQH-ZDUSSCGKSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-7-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70723679
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
CID 155942033
2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 56917535
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
2-methyl-4-[(3S)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696054
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
2-methyl-4-[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 138384761
4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706500
2-methyl-4-[(3R)-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136763695
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136847948) is 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is CCc1cc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n2nccc2n1.
What is the InChIKey of 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WWFLBMCMOAYXQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-14-9-18(24-16(22-14)6-7-19-24)23-8-4-5-13(11-23)15-10-17(25)21-12(2)20-15/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,20,21,25)/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 338.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136847948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).