8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C19H24F3N7O — CID 137045870

IUPAC8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncc(C(F)(F)F)cn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C19H24F3N7O/c1-12(15-23-10-13(11-24-15)19(20,21)22)28-6-8-29(9-7-28)18-25-16-14(17(30)26-18)4-3-5-27(16)2/h10-12H,3-9H2,1-2H3,(H,25,26,30)
InChIKeyLFHIJIGFPLENGR-UHFFFAOYSA-N
MW423.44 g/mol
LogP1.84
Rot. Bonds3

About 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 137045870) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID137045870
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Name8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncc(C(F)(F)F)cn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C19H24F3N7O/c1-12(15-23-10-13(11-24-15)19(20,21)22)28-6-8-29(9-7-28)18-25-16-14(17(30)26-18)4-3-5-27(16)2/h10-12H,3-9H2,1-2H3,(H,25,26,30)
InChIKeyLFHIJIGFPLENGR-UHFFFAOYSA-N
XLogP1.84
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 137045870) is 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is CC(c1ncc(C(F)(F)F)cn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.
What is the InChIKey of 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LFHIJIGFPLENGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-12(15-23-10-13(11-24-15)19(20,21)22)28-6-8-29(9-7-28)18-25-16-14(17(30)26-18)4-3-5-27(16)2/h10-12H,3-9H2,1-2H3,(H,25,26,30).
What are the key properties of 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 423.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137045870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).