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

C12H14F3N5O — CID 155038434

IUPAC4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)7-5-8(21)19-10-9(7)11(18-6-17-10)20-3-1-16-2-4-20/h6-7,16H,1-5H2,(H,17,18,19,21)
InChIKeyPWDZDGZDUFNEHQ-UHFFFAOYSA-N
MW301.27 g/mol
LogP0.87
Rot. Bonds1

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

4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155038434) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID155038434
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)7-5-8(21)19-10-9(7)11(18-6-17-10)20-3-1-16-2-4-20/h6-7,16H,1-5H2,(H,17,18,19,21)
InChIKeyPWDZDGZDUFNEHQ-UHFFFAOYSA-N
XLogP0.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 155038434) is 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CC(C(F)(F)F)c2c(ncnc2N2CCNCC2)N1.
What is the InChIKey of 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PWDZDGZDUFNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c13-12(14,15)7-5-8(21)19-10-9(7)11(18-6-17-10)20-3-1-16-2-4-20/h6-7,16H,1-5H2,(H,17,18,19,21).
What are the key properties of 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155038434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).