2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride

C80H91BrCl2F9N37O2 — CID 159292904

About 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride (PubChem CID 159292904) has the molecular formula C80H91BrCl2F9N37O2 and a molecular weight of 1924.66 g/mol. Its IUPAC name is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride.

Molecular Properties

• Compound Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride
• PubChem CID: 159292904
• Molecular Formula: C80H91BrCl2F9N37O2
• Molecular Weight: 1924.66 g/mol
• Exact Mass: 1921.66
• IUPAC Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride
• SMILES: Cl.Cl.Nc1cc2nc(Br)nn2cc1F.Nc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.Nc1cc2nc(N3CC[C@H](F)C3)nn2cc1F.Nc1ccn2nc(N3CCCC3)nc2c1.Nc1ccn2nc(N3CCCC3)nc2c1.Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.Nc1ccn2nc(N3CC[C@H](F)C3)nc2c1.O=C(O)C1CCn2nc(-c3ccccc3)nc2C1
• InChI: InChI=1S/C13H13N3O2.C11H11F4N5.C10H11F2N5.2C10H12FN5.2C10H13N5.C6H4BrFN4.2ClH/c17-13(18)10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;12-6-5-20-9(4-7(6)16)17-10(18-20)19-3-1-2-8(19)11(13,14)15;11-6-1-2-16(4-6)10-14-9-3-8(13)7(12)5-17(9)15-10;2*11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10;2*11-8-3-6-15-9(7-8)12-10(13-15)14-4-1-2-5-14;7-6-10-5-1-4(9)3(8)2-12(5)11-6;;/h1-5,10H,6-8H2,(H,17,18);4-5,8H,1-3,16H2;3,5-6H,1-2,4,13H2;2*2,4-5,7H,1,3,6,12H2;2*3,6-7H,1-2,4-5,11H2;1-2H,9H2;2*1H/t;8-;6-;2*7-;;;;;/m.1010...../s1
• InChIKey: GPKJPULMOUBNBI-GZCWDNSWSA-N
• XLogP: 10.17
• TPSA: 480.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 8
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.66
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride?

The IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride (CID 159292904) is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride.

What is the SMILES notation for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride?

The canonical SMILES for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride is Cl.Cl.Nc1cc2nc(Br)nn2cc1F.Nc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.Nc1cc2nc(N3CC[C@H](F)C3)nn2cc1F.Nc1ccn2nc(N3CCCC3)nc2c1.Nc1ccn2nc(N3CCCC3)nc2c1.Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.Nc1ccn2nc(N3CC[C@H](F)C3)nc2c1.O=C(O)C1CCn2nc(-c3ccccc3)nc2C1.

What is the InChIKey of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride?

The InChIKey is GPKJPULMOUBNBI-GZCWDNSWSA-N. The full InChI is InChI=1S/C13H13N3O2.C11H11F4N5.C10H11F2N5.2C10H12FN5.2C10H13N5.C6H4BrFN4.2ClH/c17-13(18)10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;12-6-5-20-9(4-7(6)16)17-10(18-20)19-3-1-2-8(19)11(13,14)15;11-6-1-2-16(4-6)10-14-9-3-8(13)7(12)5-17(9)15-10;2*11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10;2*11-8-3-6-15-9(7-8)12-10(13-15)14-4-1-2-5-14;7-6-10-5-1-4(9)3(8)2-12(5)11-6;;/h1-5,10H,6-8H2,(H,17,18);4-5,8H,1-3,16H2;3,5-6H,1-2,4,13H2;2*2,4-5,7H,1,3,6,12H2;2*3,6-7H,1-2,4-5,11H2;1-2H,9H2;2*1H/t;8-;6-;2*7-;;;;;/m.1010...../s1.

What are the key properties of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride?

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride has a molecular weight of 1924.66 g/mol, XLogP of 10.17, 8 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);dihydrochloride is sourced from PubChem (CID 159292904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).