5-[(4R)-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 164859022

IUPAC5-[(4R)-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)CCO[C@@]32CCN(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)/t21?,24-/m1/s1
InChIKeyNQAINNQYWLSMPL-MQNHUJCZSA-N
MW501.56 g/mol
LogP4.52
Rot. Bonds4

About 5-[(4R)-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-[(4R)-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 164859022) has the molecular formula C25H30F3N7O and a molecular weight of 501.56 g/mol. Its IUPAC name is 5-[(4R)-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-[(4R)-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 CID164859022
Molecular FormulaC25H30F3N7O
Molecular Weight501.56 g/mol
Exact Mass501.25
IUPAC Name5-[(4R)-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)CCO[C@@]32CCN(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)/t21?,24-/m1/s1
InChIKeyNQAINNQYWLSMPL-MQNHUJCZSA-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-[(4R)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-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-[(4R)-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 164859022) is 5-[(4R)-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-[(4R)-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-[(4R)-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)CCO[C@@]32CCN(C(c3ncc[nH]3)C3CCCCC3)C2)cc1C(F)(F)F.
What is the InChIKey of 5-[(4R)-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-MQNHUJCZSA-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)/t21?,24-/m1/s1.
What are the key properties of 5-[(4R)-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-[(4R)-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-[(4R)-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 164859022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).