ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C24H26N6OS — CID 164601300

IUPACethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC.CC(C)n1ccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2-c2ccccc2)n1
InChIInChI=1S/C22H20N6OS.C2H6/c1-13(2)28-11-9-15(26-28)18-16(14-7-5-4-6-8-14)17-21(29)24-19(25-22(17)30-18)20-23-10-12-27(20)3;1-2/h4-13H,1-3H3,(H,24,25,29);1-2H3
InChIKeyMOKPGEOYKOUPIT-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.52
Rot. Bonds4

About ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 164601300) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID164601300
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Nameethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC.CC(C)n1ccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2-c2ccccc2)n1
InChIInChI=1S/C22H20N6OS.C2H6/c1-13(2)28-11-9-15(26-28)18-16(14-7-5-4-6-8-14)17-21(29)24-19(25-22(17)30-18)20-23-10-12-27(20)3;1-2/h4-13H,1-3H3,(H,24,25,29);1-2H3
InChIKeyMOKPGEOYKOUPIT-UHFFFAOYSA-N
XLogP5.52
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 164585227
3-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanal
CID 171433984
2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 137429490
6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 164601224
3-[[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutane-1-carbaldehyde
CID 167390146
N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585093
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421
ethane;ethyl 2-amino-4-phenyl-5-(1-propan-2-ylpyrazol-3-yl)thiophene-3-carboxylate
CID 164601237
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585173
ethane;1-methyl-2-phenylimidazole
CID 142155183
5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52693465

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 164601300) is ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is CC.CC(C)n1ccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2-c2ccccc2)n1.
What is the InChIKey of ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MOKPGEOYKOUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS.C2H6/c1-13(2)28-11-9-15(26-28)18-16(14-7-5-4-6-8-14)17-21(29)24-19(25-22(17)30-18)20-23-10-12-27(20)3;1-2/h4-13H,1-3H3,(H,24,25,29);1-2H3.
What are the key properties of ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 446.58 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164601300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).