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

C25H21Cl2FN4O2 — CID 166830446

IUPAC5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C25H21Cl2FN4O2/c1-14-29-20-12-22(32-8-9-34-21(13-32)15-4-3-5-16(26)10-15)30-24(23(20)25(33)31(14)2)18-7-6-17(27)11-19(18)28/h3-7,10-12,21H,8-9,13H2,1-2H3/t21-/m0/s1
InChIKeyXHKOOFGHKMKICO-NRFANRHFSA-N
MW499.37 g/mol
LogP5.33
Rot. Bonds3

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

5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830446) has the molecular formula C25H21Cl2FN4O2 and a molecular weight of 499.37 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
PubChem CID166830446
Molecular FormulaC25H21Cl2FN4O2
Molecular Weight499.37 g/mol
Exact Mass498.10
IUPAC Name5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C25H21Cl2FN4O2/c1-14-29-20-12-22(32-8-9-34-21(13-32)15-4-3-5-16(26)10-15)30-24(23(20)25(33)31(14)2)18-7-6-17(27)11-19(18)28/h3-7,10-12,21H,8-9,13H2,1-2H3/t21-/m0/s1
InChIKeyXHKOOFGHKMKICO-NRFANRHFSA-N
XLogP5.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (CID 166830446) is 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-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-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is Cc1nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)n1C.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XHKOOFGHKMKICO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H21Cl2FN4O2/c1-14-29-20-12-22(32-8-9-34-21(13-32)15-4-3-5-16(26)10-15)30-24(23(20)25(33)31(14)2)18-7-6-17(27)11-19(18)28/h3-7,10-12,21H,8-9,13H2,1-2H3/t21-/m0/s1.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 499.37 g/mol, XLogP of 5.33, 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-(3-chlorophenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).