5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C24H30F3N7O — CID 166982907

IUPAC5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1CNCC(F)(F)F
InChIInChI=1S/C24H30F3N7O/c1-15-8-17(9-16(2)20(15)11-29-14-24(25,26)27)21-12-30-22(28)23(32-21)35-19-10-31-34(13-19)18-4-6-33(3)7-5-18/h8-10,12-13,18,29H,4-7,11,14H2,1-3H3,(H2,28,30)
InChIKeyYPXKHLHZZRDZLD-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.25
Rot. Bonds7

About 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 166982907) has the molecular formula C24H30F3N7O and a molecular weight of 489.55 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID166982907
Molecular FormulaC24H30F3N7O
Molecular Weight489.55 g/mol
Exact Mass489.25
IUPAC Name5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1CNCC(F)(F)F
InChIInChI=1S/C24H30F3N7O/c1-15-8-17(9-16(2)20(15)11-29-14-24(25,26)27)21-12-30-22(28)23(32-21)35-19-10-31-34(13-19)18-4-6-33(3)7-5-18/h8-10,12-13,18,29H,4-7,11,14H2,1-3H3,(H2,28,30)
InChIKeyYPXKHLHZZRDZLD-UHFFFAOYSA-N
XLogP4.25
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The IUPAC name of 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 166982907) is 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.
What is the SMILES notation for 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The canonical SMILES for 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1CNCC(F)(F)F.
What is the InChIKey of 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The InChIKey is YPXKHLHZZRDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O/c1-15-8-17(9-16(2)20(15)11-29-14-24(25,26)27)21-12-30-22(28)23(32-21)35-19-10-31-34(13-19)18-4-6-33(3)7-5-18/h8-10,12-13,18,29H,4-7,11,14H2,1-3H3,(H2,28,30).
What are the key properties of 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 489.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 166982907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).