5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one

C23H24ClFN4O2 — CID 166830854

IUPAC5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](C4CCC4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C23H24ClFN4O2/c1-13-26-18-11-20(29-8-9-31-19(12-29)14-4-3-5-14)27-22(21(18)23(30)28(13)2)16-7-6-15(24)10-17(16)25/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3/t19-/m0/s1
InChIKeyCNWNVTOVIREPFF-IBGZPJMESA-N
MW442.92 g/mol
LogP4.10
Rot. Bonds3

About 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830854) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
PubChem CID166830854
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](C4CCC4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C23H24ClFN4O2/c1-13-26-18-11-20(29-8-9-31-19(12-29)14-4-3-5-14)27-22(21(18)23(30)28(13)2)16-7-6-15(24)10-17(16)25/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3/t19-/m0/s1
InChIKeyCNWNVTOVIREPFF-IBGZPJMESA-N
XLogP4.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-(2,2,2-trifluoroethyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830588
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830363
5-(4-chloro-2-fluorophenyl)-7-(2-ethylmorpholin-4-yl)-2-methyl-3-propylpyrido[4,3-d]pyrimidin-4-one
CID 166830483
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830804
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830377
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830372
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830876
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830728
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-[3-(trifluoromethoxy)phenyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830621
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830816
5-(4-chloro-2-fluorophenyl)-7-[4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
CID 166830801
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 170182279

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (CID 166830854) is 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is Cc1nc2cc(N3CCO[C@H](C4CCC4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CNWNVTOVIREPFF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-13-26-18-11-20(29-8-9-31-19(12-29)14-4-3-5-14)27-22(21(18)23(30)28(13)2)16-7-6-15(24)10-17(16)25/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 442.92 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).