2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C18H23N5OS — CID 153349548

IUPAC2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCC1CCN(C)C(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)C1
InChIInChI=1S/C18H23N5OS/c1-4-11-5-6-23(3)14(7-11)17-20-13-8-15(12-9-19-22-10(12)2)25-16(13)18(24)21-17/h8-9,11,14H,4-7H2,1-3H3,(H,19,22)(H,20,21,24)
InChIKeyPKYBTFRFXAKXAY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 153349548) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID153349548
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCC1CCN(C)C(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)C1
InChIInChI=1S/C18H23N5OS/c1-4-11-5-6-23(3)14(7-11)17-20-13-8-15(12-9-19-22-10(12)2)25-16(13)18(24)21-17/h8-9,11,14H,4-7H2,1-3H3,(H,19,22)(H,20,21,24)
InChIKeyPKYBTFRFXAKXAY-UHFFFAOYSA-N
XLogP3.48
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[6-(5-methyl-1H-pyrazol-4-yl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetic acid
CID 136603245
2-[(3S,5S)-5-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603430
2-[(1S,3S,4S,5S)-5-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603431
2-[(2S,3R,4S)-3,4-dimethylpyrrolidin-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137198571
2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138527160
2-[(3S,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136592464
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S,5R)-5-phenylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603443
6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603374
6-(5-methyl-1H-pyrazol-4-yl)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603207
2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603284
6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603282
2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138527138

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 153349548) is 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is CCC1CCN(C)C(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PKYBTFRFXAKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-4-11-5-6-23(3)14(7-11)17-20-13-8-15(12-9-19-22-10(12)2)25-16(13)18(24)21-17/h8-9,11,14H,4-7H2,1-3H3,(H,19,22)(H,20,21,24).
What are the key properties of 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 357.48 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methylpiperidin-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 153349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).