1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine

C23H21F6N7O — CID 166122147

IUPAC1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)cc3F)c2nc1C.FC(F)n1cccn1
InChIInChI=1S/C19H17F4N5O.C4H4F2N2/c1-10-11(2)25-17-16(24-10)15(26-18(27-17)28-5-7-29-8-6-28)13-4-3-12(9-14(13)20)19(21,22)23;5-4(6)8-3-1-2-7-8/h3-4,9H,5-8H2,1-2H3;1-4H
InChIKeyCCPZEOQLZCZANJ-UHFFFAOYSA-N
MW525.46 g/mol
LogP4.98
Rot. Bonds3

About 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine

1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine (PubChem CID 166122147) has the molecular formula C23H21F6N7O and a molecular weight of 525.46 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
PubChem CID166122147
Molecular FormulaC23H21F6N7O
Molecular Weight525.46 g/mol
Exact Mass525.17
IUPAC Name1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)cc3F)c2nc1C.FC(F)n1cccn1
InChIInChI=1S/C19H17F4N5O.C4H4F2N2/c1-10-11(2)25-17-16(24-10)15(26-18(27-17)28-5-7-29-8-6-28)13-4-3-12(9-14(13)20)19(21,22)23;5-4(6)8-3-1-2-7-8/h3-4,9H,5-8H2,1-2H3;1-4H
InChIKeyCCPZEOQLZCZANJ-UHFFFAOYSA-N
XLogP4.98
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
(2S,6R)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 166121777
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]pteridine
CID 178120715
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;1-methylimidazole
CID 166122011
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine?
The IUPAC name of 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine (CID 166122147) is 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine.
What is the SMILES notation for 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine?
The canonical SMILES for 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine is Cc1nc2nc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)cc3F)c2nc1C.FC(F)n1cccn1.
What is the InChIKey of 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine?
The InChIKey is CCPZEOQLZCZANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O.C4H4F2N2/c1-10-11(2)25-17-16(24-10)15(26-18(27-17)28-5-7-29-8-6-28)13-4-3-12(9-14(13)20)19(21,22)23;5-4(6)8-3-1-2-7-8/h3-4,9H,5-8H2,1-2H3;1-4H.
What are the key properties of 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine?
1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine has a molecular weight of 525.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine is sourced from PubChem (CID 166122147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).