6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one

C24H23ClN4O2S — CID 24786069

IUPAC6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCN1CCC(Oc2cc(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccn2)CC1
InChIInChI=1S/C24H23ClN4O2S/c1-28-10-7-19(8-11-28)31-22-12-16(6-9-26-22)14-29-15-27-20-13-21(32-23(20)24(29)30)17-2-4-18(25)5-3-17/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3
InChIKeyVCJFXNCKEOOGAE-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.69
Rot. Bonds5

About 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 24786069) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID24786069
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCN1CCC(Oc2cc(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccn2)CC1
InChIInChI=1S/C24H23ClN4O2S/c1-28-10-7-19(8-11-28)31-22-12-16(6-9-26-22)14-29-15-27-20-13-21(32-23(20)24(29)30)17-2-4-18(25)5-3-17/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3
InChIKeyVCJFXNCKEOOGAE-UHFFFAOYSA-N
XLogP4.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 24786069) is 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one is CN1CCC(Oc2cc(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccn2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VCJFXNCKEOOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-28-10-7-19(8-11-28)31-22-12-16(6-9-26-22)14-29-15-27-20-13-21(32-23(20)24(29)30)17-2-4-18(25)5-3-17/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 466.99 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 24786069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).