2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine

C21H25F3N4OS — CID 178124895

IUPAC2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1nn2c(NC34CCCC(N5CC6(COC6)C5)(C3)C4)cccc2c1SC(F)(F)F
InChIInChI=1S/C21H25F3N4OS/c1-14-17(30-21(22,23)24)15-4-2-5-16(28(15)26-14)25-19-6-3-7-20(8-19,9-19)27-10-18(11-27)12-29-13-18/h2,4-5,25H,3,6-13H2,1H3
InChIKeyZQZJPVDKKWOLLV-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.45
Rot. Bonds4

About 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine

2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 178124895) has the molecular formula C21H25F3N4OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID178124895
Molecular FormulaC21H25F3N4OS
Molecular Weight438.52 g/mol
Exact Mass438.17
IUPAC Name2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1nn2c(NC34CCCC(N5CC6(COC6)C5)(C3)C4)cccc2c1SC(F)(F)F
InChIInChI=1S/C21H25F3N4OS/c1-14-17(30-21(22,23)24)15-4-2-5-16(28(15)26-14)25-19-6-3-7-20(8-19,9-19)27-10-18(11-27)12-29-13-18/h2,4-5,25H,3,6-13H2,1H3
InChIKeyZQZJPVDKKWOLLV-UHFFFAOYSA-N
XLogP4.45
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine (CID 178124895) is 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine is Cc1nn2c(NC34CCCC(N5CC6(COC6)C5)(C3)C4)cccc2c1SC(F)(F)F.
What is the InChIKey of 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is ZQZJPVDKKWOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4OS/c1-14-17(30-21(22,23)24)15-4-2-5-16(28(15)26-14)25-19-6-3-7-20(8-19,9-19)27-10-18(11-27)12-29-13-18/h2,4-5,25H,3,6-13H2,1H3.
What are the key properties of 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine?
2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 438.52 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 178124895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).