5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H30F3N7O — CID 170428749

IUPAC5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc3n(n2)CCOC32CCN(C(c3ncc[nH]3)C3CCCCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C25H30F3N7O/c26-25(27,28)18-12-17(14-32-22(18)29)19-13-20-24(36-11-10-35(20)33-19)6-9-34(15-24)21(23-30-7-8-31-23)16-4-2-1-3-5-16/h7-8,12-14,16,21H,1-6,9-11,15H2,(H2,29,32)(H,30,31)
InChIKeyNQAINNQYWLSMPL-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.52
Rot. Bonds4

About 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 170428749) has the molecular formula C25H30F3N7O and a molecular weight of 501.56 g/mol. Its IUPAC name is 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID170428749
Molecular FormulaC25H30F3N7O
Molecular Weight501.56 g/mol
Exact Mass501.25
IUPAC Name5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc3n(n2)CCOC32CCN(C(c3ncc[nH]3)C3CCCCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C25H30F3N7O/c26-25(27,28)18-12-17(14-32-22(18)29)19-13-20-24(36-11-10-35(20)33-19)6-9-34(15-24)21(23-30-7-8-31-23)16-4-2-1-3-5-16/h7-8,12-14,16,21H,1-6,9-11,15H2,(H2,29,32)(H,30,31)
InChIKeyNQAINNQYWLSMPL-UHFFFAOYSA-N
XLogP4.52
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 170428749) is 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc3n(n2)CCOC32CCN(C(c3ncc[nH]3)C3CCCCC3)C2)cc1C(F)(F)F.
What is the InChIKey of 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NQAINNQYWLSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O/c26-25(27,28)18-12-17(14-32-22(18)29)19-13-20-24(36-11-10-35(20)33-19)6-9-34(15-24)21(23-30-7-8-31-23)16-4-2-1-3-5-16/h7-8,12-14,16,21H,1-6,9-11,15H2,(H2,29,32)(H,30,31).
What are the key properties of 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 501.56 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170428749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).