8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H24F2N6OS — CID 126674304

About 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 126674304) has the molecular formula C24H24F2N6OS and a molecular weight of 482.56 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 126674304
• Molecular Formula: C24H24F2N6OS
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.17
• IUPAC Name: 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(OC(F)F)cc4)cccn3n2)sn1
• InChI: InChI=1S/C24H24F2N6OS/c1-14-11-20(34-30-14)31-12-16-4-5-17(13-31)21(16)27-24-28-22-19(3-2-10-32(22)29-24)15-6-8-18(9-7-15)33-23(25)26/h2-3,6-11,16-17,21,23H,4-5,12-13H2,1H3,(H,27,29)/t16-,17+,21?
• InChIKey: ROIAKNJPBMMMNQ-QRTHJKPMSA-N
• XLogP: 5.09
• TPSA: 67.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 126674304) is 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(OC(F)F)cc4)cccn3n2)sn1.

What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is ROIAKNJPBMMMNQ-QRTHJKPMSA-N. The full InChI is InChI=1S/C24H24F2N6OS/c1-14-11-20(34-30-14)31-12-16-4-5-17(13-31)21(16)27-24-28-22-19(3-2-10-32(22)29-24)15-6-8-18(9-7-15)33-23(25)26/h2-3,6-11,16-17,21,23H,4-5,12-13H2,1H3,(H,27,29)/t16-,17+,21?.

What are the key properties of 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 482.56 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 126674304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).