(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one

C25H27F3N4O3 — CID 118401369

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H27F3N4O3/c1-15(18-12-24(33)29-13-18)35-23-11-17(10-21-19(23)14-31(2)30-21)16-3-4-22(20(9-16)25(26,27)28)32-5-7-34-8-6-32/h3-4,9-11,14-15,18H,5-8,12-13H2,1-2H3,(H,29,33)/t15-,18-/m1/s1
InChIKeyGYSNHVVCAAYHOC-CRAIPNDOSA-N
MW488.51 g/mol
LogP4.00
Rot. Bonds5

About (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401369) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401369
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H27F3N4O3/c1-15(18-12-24(33)29-13-18)35-23-11-17(10-21-19(23)14-31(2)30-21)16-3-4-22(20(9-16)25(26,27)28)32-5-7-34-8-6-32/h3-4,9-11,14-15,18H,5-8,12-13H2,1-2H3,(H,29,33)/t15-,18-/m1/s1
InChIKeyGYSNHVVCAAYHOC-CRAIPNDOSA-N
XLogP4.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401369) is (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GYSNHVVCAAYHOC-CRAIPNDOSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15(18-12-24(33)29-13-18)35-23-11-17(10-21-19(23)14-31(2)30-21)16-3-4-22(20(9-16)25(26,27)28)32-5-7-34-8-6-32/h3-4,9-11,14-15,18H,5-8,12-13H2,1-2H3,(H,29,33)/t15-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 488.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).