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

C25H20ClF4N5O2 — CID 166830372

IUPAC5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@@H](c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C25H20ClF4N5O2/c1-13-32-18-11-21(33-23(22(18)24(36)34(13)2)16-4-3-15(26)10-17(16)27)35-7-8-37-19(12-35)14-5-6-31-20(9-14)25(28,29)30/h3-6,9-11,19H,7-8,12H2,1-2H3/t19-/m1/s1
InChIKeyRCXFHDUIDJDNGM-LJQANCHMSA-N
MW533.91 g/mol
LogP5.09
Rot. Bonds3

About 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

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 (PubChem CID 166830372) has the molecular formula C25H20ClF4N5O2 and a molecular weight of 533.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID166830372
Molecular FormulaC25H20ClF4N5O2
Molecular Weight533.91 g/mol
Exact Mass533.12
IUPAC Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@@H](c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C25H20ClF4N5O2/c1-13-32-18-11-21(33-23(22(18)24(36)34(13)2)16-4-3-15(26)10-17(16)27)35-7-8-37-19(12-35)14-5-6-31-20(9-14)25(28,29)30/h3-6,9-11,19H,7-8,12H2,1-2H3/t19-/m1/s1
InChIKeyRCXFHDUIDJDNGM-LJQANCHMSA-N
XLogP5.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.91
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 176767379
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)-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)-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-[(2S)-2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830728
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 172611966
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777
2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
CID 166830859
5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
CID 166830854
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)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2cc(N3CCO[C@@H](c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C.
What is the InChIKey of 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?
The InChIKey is RCXFHDUIDJDNGM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H20ClF4N5O2/c1-13-32-18-11-21(33-23(22(18)24(36)34(13)2)16-4-3-15(26)10-17(16)27)35-7-8-37-19(12-35)14-5-6-31-20(9-14)25(28,29)30/h3-6,9-11,19H,7-8,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 533.91 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166830372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).