1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine

C24H30F3N7O — CID 166121741

IUPAC1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
SMILESCc1nc2nc(N3CCOC(C)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C18H22F3N5O.C6H8N2/c1-9-8-26(4-5-27-9)17-24-14(12-6-13(7-12)18(19,20)21)15-16(25-17)23-11(3)10(2)22-15;1-4-7-8(5-1)6-2-3-6/h9,12-13H,4-8H2,1-3H3;1,4-6H,2-3H2
InChIKeyAIAGJXGZJQZIGQ-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.54
Rot. Bonds3

About 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine

1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine (PubChem CID 166121741) has the molecular formula C24H30F3N7O and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine.

Molecular Properties

Compound Name1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
PubChem CID166121741
Molecular FormulaC24H30F3N7O
Molecular Weight489.55 g/mol
Exact Mass489.25
IUPAC Name1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
SMILESCc1nc2nc(N3CCOC(C)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C18H22F3N5O.C6H8N2/c1-9-8-26(4-5-27-9)17-24-14(12-6-13(7-12)18(19,20)21)15-16(25-17)23-11(3)10(2)22-15;1-4-7-8(5-1)6-2-3-6/h9,12-13H,4-8H2,1-3H3;1,4-6H,2-3H2
InChIKeyAIAGJXGZJQZIGQ-UHFFFAOYSA-N
XLogP4.54
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
CID 166121638
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166121190
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 157045293
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
2-[(2R,4S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine
CID 166122466
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045644
(2S)-2-(6-methylpyridazin-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157045843
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine?
The IUPAC name of 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine (CID 166121741) is 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine.
What is the SMILES notation for 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine?
The canonical SMILES for 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine is Cc1nc2nc(N3CCOC(C)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine?
The InChIKey is AIAGJXGZJQZIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.C6H8N2/c1-9-8-26(4-5-27-9)17-24-14(12-6-13(7-12)18(19,20)21)15-16(25-17)23-11(3)10(2)22-15;1-4-7-8(5-1)6-2-3-6/h9,12-13H,4-8H2,1-3H3;1,4-6H,2-3H2.
What are the key properties of 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine?
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine has a molecular weight of 489.55 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine is sourced from PubChem (CID 166121741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).