5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride

C15H17ClF3N5O — CID 164860010

IUPAC5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cc3n(n2)CCOC32CCNC2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N5O.ClH/c16-15(17,18)10-5-9(7-21-13(10)19)11-6-12-14(1-2-20-8-14)24-4-3-23(12)22-11;/h5-7,20H,1-4,8H2,(H2,19,21);1H
InChIKeyUXSZMACQJKQZPR-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.19
Rot. Bonds1

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

5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 164860010) has the molecular formula C15H17ClF3N5O and a molecular weight of 375.78 g/mol. Its IUPAC name is 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID164860010
Molecular FormulaC15H17ClF3N5O
Molecular Weight375.78 g/mol
Exact Mass375.11
IUPAC Name5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cc3n(n2)CCOC32CCNC2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N5O.ClH/c16-15(17,18)10-5-9(7-21-13(10)19)11-6-12-14(1-2-20-8-14)24-4-3-23(12)22-11;/h5-7,20H,1-4,8H2,(H2,19,21);1H
InChIKeyUXSZMACQJKQZPR-UHFFFAOYSA-N
XLogP2.19
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 164860010) is 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride is Cl.Nc1ncc(-c2cc3n(n2)CCOC32CCNC2)cc1C(F)(F)F.
What is the InChIKey of 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is UXSZMACQJKQZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O.ClH/c16-15(17,18)10-5-9(7-21-13(10)19)11-6-12-14(1-2-20-8-14)24-4-3-23(12)22-11;/h5-7,20H,1-4,8H2,(H2,19,21);1H.
What are the key properties of 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride?
5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 375.78 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl-3-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 164860010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).