4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole

C20H25F3N8O — CID 157045447

IUPAC4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc(N3CC(C(F)(F)F)C3)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H19F3N6O.C4H6N2/c1-9-10(2)21-13-12(20-9)14(25-7-11(8-25)16(17,18)19)23-15(22-13)24-3-5-26-6-4-24;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3
InChIKeyJCGUFQNJISTWQK-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.29
Rot. Bonds2

About 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole

4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole (PubChem CID 157045447) has the molecular formula C20H25F3N8O and a molecular weight of 450.47 g/mol. Its IUPAC name is 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole.

Molecular Properties

Compound Name4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
PubChem CID157045447
Molecular FormulaC20H25F3N8O
Molecular Weight450.47 g/mol
Exact Mass450.21
IUPAC Name4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc(N3CC(C(F)(F)F)C3)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H19F3N6O.C4H6N2/c1-9-10(2)21-13-12(20-9)14(25-7-11(8-25)16(17,18)19)23-15(22-13)24-3-5-26-6-4-24;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3
InChIKeyJCGUFQNJISTWQK-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045389
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
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)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 166122147
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
CID 157044450

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole?
The IUPAC name of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole (CID 157045447) is 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole.
What is the SMILES notation for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole?
The canonical SMILES for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole is Cc1nc2nc(N3CCOCC3)nc(N3CC(C(F)(F)F)C3)c2nc1C.Cn1cccn1.
What is the InChIKey of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole?
The InChIKey is JCGUFQNJISTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O.C4H6N2/c1-9-10(2)21-13-12(20-9)14(25-7-11(8-25)16(17,18)19)23-15(22-13)24-3-5-26-6-4-24;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3.
What are the key properties of 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole?
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole has a molecular weight of 450.47 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole is sourced from PubChem (CID 157045447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).