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

C22H23F4N5O2 — CID 164555191

IUPAC8-fluoro-2-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)c(F)c2n1
InChIInChI=1S/C22H23F4N5O2/c1-12-15(5-4-6-17(12)22(24,25)26)13(2)27-20-16-11-31(30-7-9-33-10-8-30)21(32)18(23)19(16)28-14(3)29-20/h4-6,11,13H,7-10H2,1-3H3,(H,27,28,29)/t13-/m1/s1
InChIKeyKSMJDQDYSZJBNF-CYBMUJFWSA-N
MW465.45 g/mol
LogP3.71
Rot. Bonds4

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

8-fluoro-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555191) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is 8-fluoro-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 Name8-fluoro-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID164555191
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC Name8-fluoro-2-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)c(F)c2n1
InChIInChI=1S/C22H23F4N5O2/c1-12-15(5-4-6-17(12)22(24,25)26)13(2)27-20-16-11-31(30-7-9-33-10-8-30)21(32)18(23)19(16)28-14(3)29-20/h4-6,11,13H,7-10H2,1-3H3,(H,27,28,29)/t13-/m1/s1
InChIKeyKSMJDQDYSZJBNF-CYBMUJFWSA-N
XLogP3.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-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 8-fluoro-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 8-fluoro-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (CID 164555191) is 8-fluoro-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 8-fluoro-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 8-fluoro-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)c(F)c2n1.
What is the InChIKey of 8-fluoro-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 KSMJDQDYSZJBNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c1-12-15(5-4-6-17(12)22(24,25)26)13(2)27-20-16-11-31(30-7-9-33-10-8-30)21(32)18(23)19(16)28-14(3)29-20/h4-6,11,13H,7-10H2,1-3H3,(H,27,28,29)/t13-/m1/s1.
What are the key properties of 8-fluoro-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
8-fluoro-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 465.45 g/mol, XLogP of 3.71, 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-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 164555191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).