8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H25F2N7S — CID 70660410

About 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70660410) has the molecular formula C22H25F2N7S and a molecular weight of 457.55 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 70660410
• Molecular Formula: C22H25F2N7S
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.19
• IUPAC Name: 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1nsc(N2CC3CCC(C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)c(F)c2)n1
• InChI: InChI=1S/C22H25F2N7S/c1-12-25-22(32-29-12)30-10-14-4-5-15(11-30)19(14)26-21-27-20-16(3-2-8-31(20)28-21)13-6-7-17(23)18(24)9-13/h6-7,9,14-16,19H,2-5,8,10-11H2,1H3,(H,26,28)
• InChIKey: CLXFGGINHHRXDB-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70660410) is 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CC3CCC(C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)c(F)c2)n1.

What is the InChIKey of 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is CLXFGGINHHRXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7S/c1-12-25-22(32-29-12)30-10-14-4-5-15(11-30)19(14)26-21-27-20-16(3-2-8-31(20)28-21)13-6-7-17(23)18(24)9-13/h6-7,9,14-16,19H,2-5,8,10-11H2,1H3,(H,26,28).

What are the key properties of 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 457.55 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70660410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).