6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H17F2N3O3S — CID 53147301

IUPAC6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2cc(F)ccc2F)C3)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-28-16-5-2-13(3-6-16)20-23-11-14-12-25(9-8-18(14)24-20)29(26,27)19-10-15(21)4-7-17(19)22/h2-7,10-11H,8-9,12H2,1H3
InChIKeyJMHJIVCMZWEECQ-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.18
Rot. Bonds4

About 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147301) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147301
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2cc(F)ccc2F)C3)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-28-16-5-2-13(3-6-16)20-23-11-14-12-25(9-8-18(14)24-20)29(26,27)19-10-15(21)4-7-17(19)22/h2-7,10-11H,8-9,12H2,1H3
InChIKeyJMHJIVCMZWEECQ-UHFFFAOYSA-N
XLogP3.18
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
3-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 139410430
4-(4-Fluorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767762
(4-Methoxy-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353966
1-(4,5-difluoro-2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 71585331
1-(4-fluoro-2-methoxy-5-methylphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89613977
2,5-Difluoro-4-{[(1S*,2R*)-2-(2-methylpyridin-3-yl)cyclohexyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 89963515
5-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]phenyl]-N,N-dimethylpyrimidin-2-amine
CID 117902521
N,N-dimethyl-5-[2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]phenyl]pyrimidin-2-amine
CID 117903058
4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 139389984
4-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 139390084
4-(4-Methoxyphenyl)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1488336

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147301) is 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2cc(F)ccc2F)C3)cc1.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JMHJIVCMZWEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-28-16-5-2-13(3-6-16)20-23-11-14-12-25(9-8-18(14)24-20)29(26,27)19-10-15(21)4-7-17(19)22/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 417.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).