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

C21H21F4N5O2 — CID 164555150

IUPAC8-fluoro-2-methyl-6-morpholin-4-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(N3CCOCC3)c(=O)c(F)c2n1
InChIInChI=1S/C21H21F4N5O2/c1-12(14-4-3-5-15(10-14)21(23,24)25)26-19-16-11-30(29-6-8-32-9-7-29)20(31)17(22)18(16)27-13(2)28-19/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28)/t12-/m1/s1
InChIKeyVBFOHWNHRXLYOT-GFCCVEGCSA-N
MW451.42 g/mol
LogP3.40
Rot. Bonds4

About 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555150) has the molecular formula C21H21F4N5O2 and a molecular weight of 451.42 g/mol. Its IUPAC name is 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID164555150
Molecular FormulaC21H21F4N5O2
Molecular Weight451.42 g/mol
Exact Mass451.16
IUPAC Name8-fluoro-2-methyl-6-morpholin-4-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(N3CCOCC3)c(=O)c(F)c2n1
InChIInChI=1S/C21H21F4N5O2/c1-12(14-4-3-5-15(10-14)21(23,24)25)26-19-16-11-30(29-6-8-32-9-7-29)20(31)17(22)18(16)27-13(2)28-19/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28)/t12-/m1/s1
InChIKeyVBFOHWNHRXLYOT-GFCCVEGCSA-N
XLogP3.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 164555150) is 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 8-fluoro-2-methyl-6-morpholin-4-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(N3CCOCC3)c(=O)c(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is VBFOHWNHRXLYOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21F4N5O2/c1-12(14-4-3-5-15(10-14)21(23,24)25)26-19-16-11-30(29-6-8-32-9-7-29)20(31)17(22)18(16)27-13(2)28-19/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28)/t12-/m1/s1.
What are the key properties of 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 451.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).