4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

C23H25F3N6O — CID 157045323

IUPAC4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc(C2CN(c3nc(C4CC(C(F)(F)F)C4)c4cc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C23H25F3N6O/c1-12-6-18-20(15-8-17(9-15)23(24,25)26)29-22(30-21(18)28-14(12)3)32-4-5-33-19(11-32)16-7-13(2)31-27-10-16/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyWLCSWSOXGDHMAO-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.37
Rot. Bonds3

About 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (PubChem CID 157045323) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.

Molecular Properties

Compound Name4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
PubChem CID157045323
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc(C2CN(c3nc(C4CC(C(F)(F)F)C4)c4cc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C23H25F3N6O/c1-12-6-18-20(15-8-17(9-15)23(24,25)26)29-22(30-21(18)28-14(12)3)32-4-5-33-19(11-32)16-7-13(2)31-27-10-16/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyWLCSWSOXGDHMAO-UHFFFAOYSA-N
XLogP4.37
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(6-methylpyridazin-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157045843
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 157045293
(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157044394
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784
4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045099
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
CID 157045000
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The IUPAC name of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (CID 157045323) is 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.
What is the SMILES notation for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The canonical SMILES for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is Cc1cc(C2CN(c3nc(C4CC(C(F)(F)F)C4)c4cc(C)c(C)nc4n3)CCO2)cnn1.
What is the InChIKey of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The InChIKey is WLCSWSOXGDHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-12-6-18-20(15-8-17(9-15)23(24,25)26)29-22(30-21(18)28-14(12)3)32-4-5-33-19(11-32)16-7-13(2)31-27-10-16/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine has a molecular weight of 458.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is sourced from PubChem (CID 157045323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).