1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one

C23H20ClN5O2S — CID 112813442

IUPAC1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C23H20ClN5O2S/c24-19-4-2-1-3-16(19)13-29-14-17(5-6-20(29)30)23(31)28-10-8-27(9-11-28)21-18-7-12-32-22(18)26-15-25-21/h1-7,12,14-15H,8-11,13H2
InChIKeyLCNQPDRPGRHKNV-UHFFFAOYSA-N
MW465.97 g/mol
LogP3.52
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one

1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 112813442) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID112813442
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C23H20ClN5O2S/c24-19-4-2-1-3-16(19)13-29-14-17(5-6-20(29)30)23(31)28-10-8-27(9-11-28)21-18-7-12-32-22(18)26-15-25-21/h1-7,12,14-15H,8-11,13H2
InChIKeyLCNQPDRPGRHKNV-UHFFFAOYSA-N
XLogP3.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one with MolForge

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Related Compounds

2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528245
2-(2-chlorophenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814510
2-[[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile
CID 112823901
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 112813280
(4-methylphenyl)-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)phenyl]methanone
CID 112814695
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814460
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
2-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)phenyl]benzonitrile
CID 112815442
[2-[(4-chlorophenyl)methoxy]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112813345

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one (CID 112813442) is 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one is O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is LCNQPDRPGRHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c24-19-4-2-1-3-16(19)13-29-14-17(5-6-20(29)30)23(31)28-10-8-27(9-11-28)21-18-7-12-32-22(18)26-15-25-21/h1-7,12,14-15H,8-11,13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one?
1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 465.97 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 112813442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).