(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone

C23H20F3N5O3 — CID 170977668

IUPAC(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone
SMILESO=C(c1nn2c(c1-c1ccccc1)COCC2)N1CCC[C@@]12COc1ncc(C(F)(F)F)nc12
InChIInChI=1S/C23H20F3N5O3/c24-23(25,26)16-11-27-20-19(28-16)22(13-34-20)7-4-8-30(22)21(32)18-17(14-5-2-1-3-6-14)15-12-33-10-9-31(15)29-18/h1-3,5-6,11H,4,7-10,12-13H2/t22-/m0/s1
InChIKeyZMXMOVJFHGTDEE-QFIPXVFZSA-N
MW471.44 g/mol
LogP3.41
Rot. Bonds2

About (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone

(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone (PubChem CID 170977668) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone
PubChem CID170977668
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone
SMILESO=C(c1nn2c(c1-c1ccccc1)COCC2)N1CCC[C@@]12COc1ncc(C(F)(F)F)nc12
InChIInChI=1S/C23H20F3N5O3/c24-23(25,26)16-11-27-20-19(28-16)22(13-34-20)7-4-8-30(22)21(32)18-17(14-5-2-1-3-6-14)15-12-33-10-9-31(15)29-18/h1-3,5-6,11H,4,7-10,12-13H2/t22-/m0/s1
InChIKeyZMXMOVJFHGTDEE-QFIPXVFZSA-N
XLogP3.41
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone?
The IUPAC name of (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone (CID 170977668) is (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone.
What is the SMILES notation for (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone?
The canonical SMILES for (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone is O=C(c1nn2c(c1-c1ccccc1)COCC2)N1CCC[C@@]12COc1ncc(C(F)(F)F)nc12.
What is the InChIKey of (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone?
The InChIKey is ZMXMOVJFHGTDEE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c24-23(25,26)16-11-27-20-19(28-16)22(13-34-20)7-4-8-30(22)21(32)18-17(14-5-2-1-3-6-14)15-12-33-10-9-31(15)29-18/h1-3,5-6,11H,4,7-10,12-13H2/t22-/m0/s1.
What are the key properties of (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone?
(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone has a molecular weight of 471.44 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone is sourced from PubChem (CID 170977668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).