5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one

C24H18ClF4N5O2 — CID 176767379

IUPAC5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCOC(c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)[nH]1
InChIInChI=1S/C24H18ClF4N5O2/c1-12-31-17-10-20(33-22(21(17)23(35)32-12)15-3-2-14(25)9-16(15)26)34-6-7-36-18(11-34)13-4-5-30-19(8-13)24(27,28)29/h2-5,8-10,18H,6-7,11H2,1H3,(H,31,32,35)
InChIKeyLVAFVWWLASUUMC-UHFFFAOYSA-N
MW519.89 g/mol
LogP5.08
Rot. Bonds3

About 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 176767379) has the molecular formula C24H18ClF4N5O2 and a molecular weight of 519.89 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID176767379
Molecular FormulaC24H18ClF4N5O2
Molecular Weight519.89 g/mol
Exact Mass519.11
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCOC(c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)[nH]1
InChIInChI=1S/C24H18ClF4N5O2/c1-12-31-17-10-20(33-22(21(17)23(35)32-12)15-3-2-14(25)9-16(15)26)34-6-7-36-18(11-34)13-4-5-30-19(8-13)24(27,28)29/h2-5,8-10,18H,6-7,11H2,1H3,(H,31,32,35)
InChIKeyLVAFVWWLASUUMC-UHFFFAOYSA-N
XLogP5.08
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-2,3-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-[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-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 176767364
5-(4-chloro-2-fluorophenyl)-7-[(3R)-4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 176767348
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
13-(4-chloro-2-fluorophenyl)-11-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151970
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-(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-[(2S)-2-(2,2,2-trifluoroethyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830588
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 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) is 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one is Cc1nc2cc(N3CCOC(c4ccnc(C(F)(F)F)c4)C3)nc(-c3ccc(Cl)cc3F)c2c(=O)[nH]1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LVAFVWWLASUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N5O2/c1-12-31-17-10-20(33-22(21(17)23(35)32-12)15-3-2-14(25)9-16(15)26)34-6-7-36-18(11-34)13-4-5-30-19(8-13)24(27,28)29/h2-5,8-10,18H,6-7,11H2,1H3,(H,31,32,35).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 519.89 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-methyl-7-[2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 176767379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).