4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C13H15F3N4O — CID 141291416

IUPAC4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(ncnc2N2CCCCC2)N1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)8-6-9(21)19-11-10(8)12(18-7-17-11)20-4-2-1-3-5-20/h7-8H,1-6H2,(H,17,18,19,21)
InChIKeyKEZFXXDJEQZQFN-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.45
Rot. Bonds1

About 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141291416) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141291416
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(ncnc2N2CCCCC2)N1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)8-6-9(21)19-11-10(8)12(18-7-17-11)20-4-2-1-3-5-20/h7-8H,1-6H2,(H,17,18,19,21)
InChIKeyKEZFXXDJEQZQFN-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356364
4-amino-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356367
4-Amino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 82414948
(R)-4-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666575
(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 154663206
4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 362168
2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67111983
4-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
CID 76673371
4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666579
(R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666581
4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 123488873
2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 142647205

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 141291416) is 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CC(C(F)(F)F)c2c(ncnc2N2CCCCC2)N1.
What is the InChIKey of 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KEZFXXDJEQZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)8-6-9(21)19-11-10(8)12(18-7-17-11)20-4-2-1-3-5-20/h7-8H,1-6H2,(H,17,18,19,21).
What are the key properties of 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 300.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141291416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).