(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

C24H22ClFN6O — CID 157044394

IUPAC(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4cc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C24H22ClFN6O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)29-24(30-23(19)28-15(13)3)32-6-7-33-21(12-32)16-9-14(2)31-27-11-16/h4-5,8-11,21H,6-7,12H2,1-3H3/t21-/m1/s1
InChIKeyYNMAOXUUNDLHHN-OAQYLSRUSA-N
MW464.93 g/mol
LogP4.78
Rot. Bonds3

About (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (PubChem CID 157044394) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
PubChem CID157044394
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC Name(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4cc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C24H22ClFN6O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)29-24(30-23(19)28-15(13)3)32-6-7-33-21(12-32)16-9-14(2)31-27-11-16/h4-5,8-11,21H,6-7,12H2,1-3H3/t21-/m1/s1
InChIKeyYNMAOXUUNDLHHN-OAQYLSRUSA-N
XLogP4.78
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157045323
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine
CID 157045221
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
(2S)-2-(6-methylpyridazin-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157045843
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
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine
CID 170231345
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
CID 157045623

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The IUPAC name of (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (CID 157044394) is (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The canonical SMILES for (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is Cc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4cc(C)c(C)nc4n3)CCO2)cnn1.
What is the InChIKey of (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The InChIKey is YNMAOXUUNDLHHN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)29-24(30-23(19)28-15(13)3)32-6-7-33-21(12-32)16-9-14(2)31-27-11-16/h4-5,8-11,21H,6-7,12H2,1-3H3/t21-/m1/s1.
What are the key properties of (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine has a molecular weight of 464.93 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is sourced from PubChem (CID 157044394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).