2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C19H23FN4O2S — CID 92558802

IUPAC2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1F
InChIInChI=1S/C19H23FN4O2S/c1-13-5-6-15(10-16(13)20)27(25,26)24-9-3-2-4-18(24)19-22-12-14-11-21-8-7-17(14)23-19/h5-6,10,12,18,21H,2-4,7-9,11H2,1H3/t18-/m1/s1
InChIKeyDIXSKWNDHSMDJF-GOSISDBHSA-N
MW390.48 g/mol
LogP2.49
Rot. Bonds3

About 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 92558802) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID92558802
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1F
InChIInChI=1S/C19H23FN4O2S/c1-13-5-6-15(10-16(13)20)27(25,26)24-9-3-2-4-18(24)19-22-12-14-11-21-8-7-17(14)23-19/h5-6,10,12,18,21H,2-4,7-9,11H2,1H3/t18-/m1/s1
InChIKeyDIXSKWNDHSMDJF-GOSISDBHSA-N
XLogP2.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 92558802) is 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1F.
What is the InChIKey of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is DIXSKWNDHSMDJF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13-5-6-15(10-16(13)20)27(25,26)24-9-3-2-4-18(24)19-22-12-14-11-21-8-7-17(14)23-19/h5-6,10,12,18,21H,2-4,7-9,11H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 390.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92558802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).