2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride

C99H106BrCl3F5N39O4 — CID 157466255

About 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride (PubChem CID 157466255) has the molecular formula C99H106BrCl3F5N39O4 and a molecular weight of 2187.46 g/mol. Its IUPAC name is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride.

Molecular Properties

• Compound Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride
• PubChem CID: 157466255
• Molecular Formula: C99H106BrCl3F5N39O4
• Molecular Weight: 2187.46 g/mol
• Exact Mass: 2183.75
• IUPAC Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride
• SMILES: CC(C)(C)OC(=O)Cc1ccn2nc(-c3ccccc3)nc2c1.Cl.Cl.Cl.Nc1cc2nc(Br)nn2cc1F.Nc1cc2nc(N3CC[C@H](F)C3)nn2cc1F.Nc1ccn2nc(-c3ccccc3)nc2c1.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/C18H19N3O2.C13H9N3O2.C12H10N4.C10H11F2N5.2C10H12FN5.2C10H13N5.C6H4BrFN4.3ClH/c1-18(2,3)23-16(22)12-13-9-10-21-15(11-13)19-17(20-21)14-7-5-4-6-8-14;17-13(18)10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;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;;;/h4-11H,12H2,1-3H3;1-8H,(H,17,18);1-8H,13H2;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;3*1H/t;;;6-;2*7-;;;;;;/m...010....../s1
• InChIKey: QFLQMIWIDQSOHJ-UJMAWUQRSA-N
• XLogP: 14.37
• TPSA: 533.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 11
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.46
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride?

The IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride (CID 157466255) is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride.

What is the SMILES notation for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride?

The canonical SMILES for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride is CC(C)(C)OC(=O)Cc1ccn2nc(-c3ccccc3)nc2c1.Cl.Cl.Cl.Nc1cc2nc(Br)nn2cc1F.Nc1cc2nc(N3CC[C@H](F)C3)nn2cc1F.Nc1ccn2nc(-c3ccccc3)nc2c1.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;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride?

The InChIKey is QFLQMIWIDQSOHJ-UJMAWUQRSA-N. The full InChI is InChI=1S/C18H19N3O2.C13H9N3O2.C12H10N4.C10H11F2N5.2C10H12FN5.2C10H13N5.C6H4BrFN4.3ClH/c1-18(2,3)23-16(22)12-13-9-10-21-15(11-13)19-17(20-21)14-7-5-4-6-8-14;17-13(18)10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;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;;;/h4-11H,12H2,1-3H3;1-8H,(H,17,18);1-8H,13H2;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;3*1H/t;;;6-;2*7-;;;;;;/m...010....../s1.

What are the key properties of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride?

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride has a molecular weight of 2187.46 g/mol, XLogP of 14.37, 11 rotatable bonds, 8 hydrogen bond donors, and 42 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;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;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;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[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);trihydrochloride is sourced from PubChem (CID 157466255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).