6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

C20H19F3N4O — CID 138751262

About 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138751262) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
• PubChem CID: 138751262
• Molecular Formula: C20H19F3N4O
• Molecular Weight: 388.39 g/mol
• Exact Mass: 388.15
• IUPAC Name: 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
• SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C3CC3)c(=O)cc2n1
• InChI: InChI=1S/C20H19F3N4O/c1-11(13-4-3-5-14(8-13)20(21,22)23)24-19-16-10-27(15-6-7-15)18(28)9-17(16)25-12(2)26-19/h3-5,8-11,15H,6-7H2,1-2H3,(H,24,25,26)/t11-/m1/s1
• InChIKey: FHZFUDOMYYYTFY-LLVKDONJSA-N
• XLogP: 4.63
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.39
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?

The IUPAC name of 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138751262) is 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?

The canonical SMILES for 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C3CC3)c(=O)cc2n1.

What is the InChIKey of 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?

The InChIKey is FHZFUDOMYYYTFY-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-11(13-4-3-5-14(8-13)20(21,22)23)24-19-16-10-27(15-6-7-15)18(28)9-17(16)25-12(2)26-19/h3-5,8-11,15H,6-7H2,1-2H3,(H,24,25,26)/t11-/m1/s1.

What are the key properties of 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?

6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 388.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138751262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).