(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one

C24H24F3N7O2 — CID 130363175

IUPAC(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one
SMILESC[C@@H]1COC(C)(C)C(=O)N1c1cccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1
InChIInChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/m1/s1
InChIKeyUVBGONUDHDGMQG-CQSZACIVSA-N
MW499.50 g/mol
LogP3.93
Rot. Bonds4

About (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one

(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one (PubChem CID 130363175) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one
PubChem CID130363175
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one
SMILESC[C@@H]1COC(C)(C)C(=O)N1c1cccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1
InChIInChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/m1/s1
InChIKeyUVBGONUDHDGMQG-CQSZACIVSA-N
XLogP3.93
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one?
The IUPAC name of (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one (CID 130363175) is (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one.
What is the SMILES notation for (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one?
The canonical SMILES for (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one is C[C@@H]1COC(C)(C)C(=O)N1c1cccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1.
What is the InChIKey of (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one?
The InChIKey is UVBGONUDHDGMQG-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/m1/s1.
What are the key properties of (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one?
(5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one has a molecular weight of 499.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[3-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2,5-trimethylmorpholin-3-one is sourced from PubChem (CID 130363175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).