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

C22H24F3N5O2 — CID 164555116

IUPAC2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)14(2)26-21-17-12-30(29-7-9-32-10-8-29)20(31)11-19(17)27-15(3)28-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,26,27,28)/t14-/m1/s1
InChIKeyGNSZOXGHFHRCEJ-CQSZACIVSA-N
MW447.46 g/mol
LogP3.57
Rot. Bonds4

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

2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555116) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID164555116
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)14(2)26-21-17-12-30(29-7-9-32-10-8-29)20(31)11-19(17)27-15(3)28-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,26,27,28)/t14-/m1/s1
InChIKeyGNSZOXGHFHRCEJ-CQSZACIVSA-N
XLogP3.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (CID 164555116) is 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cn(N3CCOCC3)c(=O)cc2n1.
What is the InChIKey of 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is GNSZOXGHFHRCEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)14(2)26-21-17-12-30(29-7-9-32-10-8-29)20(31)11-19(17)27-15(3)28-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,26,27,28)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 447.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).