5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one

C25H23F2N5O2 — CID 166830816

IUPAC5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C25H23F2N5O2/c1-14-10-16(6-7-28-14)21-13-32(8-9-34-21)22-12-20-23(25(33)31(3)15(2)29-20)24(30-22)18-5-4-17(26)11-19(18)27/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyPWTFSEVFMFMSBY-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.86
Rot. Bonds3

About 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830816) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID166830816
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C25H23F2N5O2/c1-14-10-16(6-7-28-14)21-13-32(8-9-34-21)22-12-20-23(25(33)31(3)15(2)29-20)24(30-22)18-5-4-17(26)11-19(18)27/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyPWTFSEVFMFMSBY-UHFFFAOYSA-N
XLogP3.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830780
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830782
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830781
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-[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
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-(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-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 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) is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one is Cc1cc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PWTFSEVFMFMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-14-10-16(6-7-28-14)21-13-32(8-9-34-21)22-12-20-23(25(33)31(3)15(2)29-20)24(30-22)18-5-4-17(26)11-19(18)27/h4-7,10-12,21H,8-9,13H2,1-3H3.
What are the key properties of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 463.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).