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

C20H23N5OS — CID 164585227

IUPACethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC.Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C18H17N5OS.C2H6/c1-10(2)23-9-7-12(22-23)15-11(3)14-17(24)20-16(21-18(14)25-15)13-6-4-5-8-19-13;1-2/h4-10H,1-3H3,(H,20,21,24);1-2H3
InChIKeyURLUDJBSAQZREI-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.83
Rot. Bonds3

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

ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 164585227) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID164585227
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Nameethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC.Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C18H17N5OS.C2H6/c1-10(2)23-9-7-12(22-23)15-11(3)14-17(24)20-16(21-18(14)25-15)13-6-4-5-8-19-13;1-2/h4-10H,1-3H3,(H,20,21,24);1-2H3
InChIKeyURLUDJBSAQZREI-UHFFFAOYSA-N
XLogP4.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
cis-(1S,3R)-3-[[5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]cyclopentane-1-carbaldehyde
CID 168849848
2-methoxyethyl 5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28888962
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
N-(2-methoxyphenyl)-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888917
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
5-pyridin-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;hydrochloride
CID 162328198
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
5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52693465
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
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
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167649

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 164585227) is ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CC.Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3ccccn3)[nH]c(=O)c12.
What is the InChIKey of ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is URLUDJBSAQZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS.C2H6/c1-10(2)23-9-7-12(22-23)15-11(3)14-17(24)20-16(21-18(14)25-15)13-6-4-5-8-19-13;1-2/h4-10H,1-3H3,(H,20,21,24);1-2H3.
What are the key properties of ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 381.51 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164585227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).