6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H27N5O2S — CID 24916703

IUPAC6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C25H27N5O2S/c1-33(31,32)21-10-8-18(9-11-21)22-7-4-5-20(28-22)17-30-14-12-23-19(16-30)15-27-25(29-23)24-6-2-3-13-26-24/h4-5,7-11,15H,2-3,6,12-14,16-17H2,1H3
InChIKeyIEWXFHJZKHWIAN-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.47
Rot. Bonds5

About 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916703) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24916703
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C25H27N5O2S/c1-33(31,32)21-10-8-18(9-11-21)22-7-4-5-20(28-22)17-30-14-12-23-19(16-30)15-27-25(29-23)24-6-2-3-13-26-24/h4-5,7-11,15H,2-3,6,12-14,16-17H2,1H3
InChIKeyIEWXFHJZKHWIAN-UHFFFAOYSA-N
XLogP3.47
TPSA88.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[6-(4-chlorophenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915443
6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915416
5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24916094
6-[(5-iodofuran-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910130
6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912650
6-[(2-chloro-6-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929243
6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911873
6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915526
5-methyl-3-phenyl-4-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24912545
6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911684
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916703) is 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ccc(-c2cccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)n2)cc1.
What is the InChIKey of 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IEWXFHJZKHWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-33(31,32)21-10-8-18(9-11-21)22-7-4-5-20(28-22)17-30-14-12-23-19(16-30)15-27-25(29-23)24-6-2-3-13-26-24/h4-5,7-11,15H,2-3,6,12-14,16-17H2,1H3.
What are the key properties of 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 461.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).