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

C19H20F3N7O — CID 175780151

IUPAC4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nccc(-c2cc3n(n2)CCO[C@@]32CCN(Cc3ncc[nH]3)C2)c1C(F)(F)F
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)16-12(1-3-26-17(16)23)13-9-14-18(30-8-7-29(14)27-13)2-6-28(11-18)10-15-24-4-5-25-15/h1,3-5,9H,2,6-8,10-11H2,(H2,23,26)(H,24,25)/t18-/m1/s1
InChIKeySAULYLSSJBGOGY-GOSISDBHSA-N
MW419.41 g/mol
LogP2.40
Rot. Bonds3

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

4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 175780151) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID175780151
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC Name4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nccc(-c2cc3n(n2)CCO[C@@]32CCN(Cc3ncc[nH]3)C2)c1C(F)(F)F
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)16-12(1-3-26-17(16)23)13-9-14-18(30-8-7-29(14)27-13)2-6-28(11-18)10-15-24-4-5-25-15/h1,3-5,9H,2,6-8,10-11H2,(H2,23,26)(H,24,25)/t18-/m1/s1
InChIKeySAULYLSSJBGOGY-GOSISDBHSA-N
XLogP2.40
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)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 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 175780151) is 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)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 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1nccc(-c2cc3n(n2)CCO[C@@]32CCN(Cc3ncc[nH]3)C2)c1C(F)(F)F.
What is the InChIKey of 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SAULYLSSJBGOGY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3N7O/c20-19(21,22)16-12(1-3-26-17(16)23)13-9-14-18(30-8-7-29(14)27-13)2-6-28(11-18)10-15-24-4-5-25-15/h1,3-5,9H,2,6-8,10-11H2,(H2,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
4-[(4R)-1'-(1H-imidazol-2-ylmethyl)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 419.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-1'-(1H-imidazol-2-ylmethyl)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 175780151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).