2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H23FN4O2S — CID 110241197

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1
InChIInChI=1S/C19H23FN4O2S/c1-23-10-8-18-15(12-23)11-21-19(22-18)14-3-2-9-24(13-14)27(25,26)17-6-4-16(20)5-7-17/h4-7,11,14H,2-3,8-10,12-13H2,1H3
InChIKeyRJTQWXMYSCBQDP-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.17
Rot. Bonds3

About 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110241197) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110241197
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1
InChIInChI=1S/C19H23FN4O2S/c1-23-10-8-18-15(12-23)11-21-19(22-18)14-3-2-9-24(13-14)27(25,26)17-6-4-16(20)5-7-17/h4-7,11,14H,2-3,8-10,12-13H2,1H3
InChIKeyRJTQWXMYSCBQDP-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-[(3S)-1-[3-(4-fluorophenoxy)propyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608957
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92608930
1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241198
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624840
[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248076
3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92552165
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92608949
(2-methoxyphenyl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241192
[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559321
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559323
(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 92582598
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110241197) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2nc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RJTQWXMYSCBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-23-10-8-18-15(12-23)11-21-19(22-18)14-3-2-9-24(13-14)27(25,26)17-6-4-16(20)5-7-17/h4-7,11,14H,2-3,8-10,12-13H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 390.48 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110241197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).