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

C20H21F3N4O — CID 138751004

IUPAC2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C(C)C)c(=O)cc2n1
InChIInChI=1S/C20H21F3N4O/c1-11(2)27-10-16-17(9-18(27)28)25-13(4)26-19(16)24-12(3)14-6-5-7-15(8-14)20(21,22)23/h5-12H,1-4H3,(H,24,25,26)/t12-/m1/s1
InChIKeySQWCWXCGLFWZGV-GFCCVEGCSA-N
MW390.41 g/mol
LogP4.87
Rot. Bonds4

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

2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138751004) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138751004
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C(C)C)c(=O)cc2n1
InChIInChI=1S/C20H21F3N4O/c1-11(2)27-10-16-17(9-18(27)28)25-13(4)26-19(16)24-12(3)14-6-5-7-15(8-14)20(21,22)23/h5-12H,1-4H3,(H,24,25,26)/t12-/m1/s1
InChIKeySQWCWXCGLFWZGV-GFCCVEGCSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138751004) is 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-propan-2-yl-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(C(C)C)c(=O)cc2n1.
What is the InChIKey of 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is SQWCWXCGLFWZGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-11(2)27-10-16-17(9-18(27)28)25-13(4)26-19(16)24-12(3)14-6-5-7-15(8-14)20(21,22)23/h5-12H,1-4H3,(H,24,25,26)/t12-/m1/s1.
What are the key properties of 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 390.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138751004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).