4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one

C22H23F4N5O2 — CID 164555125

IUPAC4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(NC(C)c2cc(C(F)F)cc(C(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C22H23F4N5O2/c1-12(14-7-15(20(23)24)9-16(8-14)21(25)26)27-22-17-11-31(30-3-5-33-6-4-30)19(32)10-18(17)28-13(2)29-22/h7-12,20-21H,3-6H2,1-2H3,(H,27,28,29)
InChIKeyWXDOOLINZOQIGY-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.12
Rot. Bonds6

About 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one

4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555125) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID164555125
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC Name4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(NC(C)c2cc(C(F)F)cc(C(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1
InChIInChI=1S/C22H23F4N5O2/c1-12(14-7-15(20(23)24)9-16(8-14)21(25)26)27-22-17-11-31(30-3-5-33-6-4-30)19(32)10-18(17)28-13(2)29-22/h7-12,20-21H,3-6H2,1-2H3,(H,27,28,29)
InChIKeyWXDOOLINZOQIGY-UHFFFAOYSA-N
XLogP4.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-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 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one (CID 164555125) is 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one is Cc1nc(NC(C)c2cc(C(F)F)cc(C(F)F)c2)c2cn(N3CCOCC3)c(=O)cc2n1.
What is the InChIKey of 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is WXDOOLINZOQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c1-12(14-7-15(20(23)24)9-16(8-14)21(25)26)27-22-17-11-31(30-3-5-33-6-4-30)19(32)10-18(17)28-13(2)29-22/h7-12,20-21H,3-6H2,1-2H3,(H,27,28,29).
What are the key properties of 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one?
4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 465.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis(difluoromethyl)phenyl]ethylamino]-2-methyl-6-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).