8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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

C23H26ClFN6S — CID 126674451

About 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 126674451) has the molecular formula C23H26ClFN6S and a molecular weight of 473.02 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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: 126674451
• Molecular Formula: C23H26ClFN6S
• Molecular Weight: 473.02 g/mol
• Exact Mass: 472.16
• IUPAC Name: 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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: Cc1cc(N2CC3CCC(C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)cc2Cl)sn1
• InChI: InChI=1S/C23H26ClFN6S/c1-13-9-20(32-29-13)30-11-14-4-5-15(12-30)21(14)26-23-27-22-18(3-2-8-31(22)28-23)17-7-6-16(25)10-19(17)24/h6-7,9-10,14-15,18,21H,2-5,8,11-12H2,1H3,(H,26,28)
• InChIKey: PAPQQXGJPIZBNO-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.02
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 126674451) is 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 Cc1cc(N2CC3CCC(C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)cc2Cl)sn1.

What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 PAPQQXGJPIZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6S/c1-13-9-20(32-29-13)30-11-14-4-5-15(12-30)21(14)26-23-27-22-18(3-2-8-31(22)28-23)17-7-6-16(25)10-19(17)24/h6-7,9-10,14-15,18,21H,2-5,8,11-12H2,1H3,(H,26,28).

What are the key properties of 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 473.02 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-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 126674451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).