6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H19FN4O3S — CID 135946789

IUPAC6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1nc2c(c(=O)[nH]1)CN(Cc1cccc(-c3ccc(F)cc3)n1)CC2
InChIInChI=1S/C20H19FN4O3S/c1-29(27,28)20-23-18-9-10-25(12-16(18)19(26)24-20)11-15-3-2-4-17(22-15)13-5-7-14(21)8-6-13/h2-8H,9-12H2,1H3,(H,23,24,26)
InChIKeyUJFRVNFJBRZYOJ-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.93
Rot. Bonds4

About 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946789) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946789
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1nc2c(c(=O)[nH]1)CN(Cc1cccc(-c3ccc(F)cc3)n1)CC2
InChIInChI=1S/C20H19FN4O3S/c1-29(27,28)20-23-18-9-10-25(12-16(18)19(26)24-20)11-15-3-2-4-17(22-15)13-5-7-14(21)8-6-13/h2-8H,9-12H2,1H3,(H,23,24,26)
InChIKeyUJFRVNFJBRZYOJ-UHFFFAOYSA-N
XLogP1.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946792
2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946793
6-[(2,6-difluorophenyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917297
6-[(8-hydroxyquinolin-2-yl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862541
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917337
6-[(2-ethylphenyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917737
2-methylsulfonyl-6-[(6-phenyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944449
6-[(2-bromo-3-pyridinyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946109
2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946833
6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946834
2-methylsulfonyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920110
6-[(3-bromo-4-pyridinyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946409

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946789) is 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CS(=O)(=O)c1nc2c(c(=O)[nH]1)CN(Cc1cccc(-c3ccc(F)cc3)n1)CC2.
What is the InChIKey of 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UJFRVNFJBRZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-29(27,28)20-23-18-9-10-25(12-16(18)19(26)24-20)11-15-3-2-4-17(22-15)13-5-7-14(21)8-6-13/h2-8H,9-12H2,1H3,(H,23,24,26).
What are the key properties of 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 414.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).