3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

C26H29N5OS — CID 10238579

IUPAC3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2sccc2c(=O)n1Cc1ccccc1)N1CCNC(Cc2ccccn2)C1
InChIInChI=1S/C26H29N5OS/c1-2-23(30-14-13-28-21(18-30)16-20-10-6-7-12-27-20)24-29-25-22(11-15-33-25)26(32)31(24)17-19-8-4-3-5-9-19/h3-12,15,21,23,28H,2,13-14,16-18H2,1H3
InChIKeyNVOHTYOTAITYJJ-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.87
Rot. Bonds7

About 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 10238579) has the molecular formula C26H29N5OS and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID10238579
Molecular FormulaC26H29N5OS
Molecular Weight459.62 g/mol
Exact Mass459.21
IUPAC Name3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2sccc2c(=O)n1Cc1ccccc1)N1CCNC(Cc2ccccn2)C1
InChIInChI=1S/C26H29N5OS/c1-2-23(30-14-13-28-21(18-30)16-20-10-6-7-12-27-20)24-29-25-22(11-15-33-25)26(32)31(24)17-19-8-4-3-5-9-19/h3-12,15,21,23,28H,2,13-14,16-18H2,1H3
InChIKeyNVOHTYOTAITYJJ-UHFFFAOYSA-N
XLogP3.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-2-[1-[3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
CID 10153172
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
3-benzyl-2-[2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 10173102
6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10194350
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10237948
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
CID 22058093
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one (CID 10238579) is 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one is CCC(c1nc2sccc2c(=O)n1Cc1ccccc1)N1CCNC(Cc2ccccn2)C1.
What is the InChIKey of 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NVOHTYOTAITYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OS/c1-2-23(30-14-13-28-21(18-30)16-20-10-6-7-12-27-20)24-29-25-22(11-15-33-25)26(32)31(24)17-19-8-4-3-5-9-19/h3-12,15,21,23,28H,2,13-14,16-18H2,1H3.
What are the key properties of 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 459.62 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).