8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

C25H23ClFN5O3 — CID 172611966

IUPAC8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc([C@H]2CN(c3cc4c(=O)n(C)c(C)nc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C25H23ClFN5O3/c1-14-29-24-18(25(33)31(14)2)12-21(30-23(24)17-5-4-16(26)11-19(17)27)32-8-9-35-20(13-32)15-6-7-28-22(10-15)34-3/h4-7,10-12,20H,8-9,13H2,1-3H3/t20-/m1/s1
InChIKeyQVNAAYWZVIGQMF-HXUWFJFHSA-N
MW495.94 g/mol
LogP4.08
Rot. Bonds4

About 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one

8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 172611966) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
PubChem CID172611966
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc([C@H]2CN(c3cc4c(=O)n(C)c(C)nc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C25H23ClFN5O3/c1-14-29-24-18(25(33)31(14)2)12-21(30-23(24)17-5-4-16(26)11-19(17)27)32-8-9-35-20(13-32)15-6-7-28-22(10-15)34-3/h4-7,10-12,20H,8-9,13H2,1-3H3/t20-/m1/s1
InChIKeyQVNAAYWZVIGQMF-HXUWFJFHSA-N
XLogP4.08
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-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)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830372
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
2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 174162995
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-[2-[3-(trifluoromethoxy)phenyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830621
2,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711724
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R)-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 172611927
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-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830728
13-(4-chloro-2-fluorophenyl)-4,4-difluoro-11-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151814
8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole
CID 170711606

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 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) is 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is COc1cc([C@H]2CN(c3cc4c(=O)n(C)c(C)nc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QVNAAYWZVIGQMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c1-14-29-24-18(25(33)31(14)2)12-21(30-23(24)17-5-4-16(26)11-19(17)27)32-8-9-35-20(13-32)15-6-7-28-22(10-15)34-3/h4-7,10-12,20H,8-9,13H2,1-3H3/t20-/m1/s1.
What are the key properties of 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one?
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 495.94 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172611966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).