1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one

C78H99BBrF10N25O8 — CID 157309294

About 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one

1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 157309294) has the molecular formula C78H99BBrF10N25O8 and a molecular weight of 1795.51 g/mol. Its IUPAC name is 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

• Compound Name: 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one
• PubChem CID: 157309294
• Molecular Formula: C78H99BBrF10N25O8
• Molecular Weight: 1795.51 g/mol
• Exact Mass: 1793.72
• IUPAC Name: 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2cccn3nc(N)nc23)CC1.CC(C)(C)OC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1.Nc1cnn(CC(F)F)c1.Nc1nc2c(Br)cccn2n1.Nc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1.O=C(CCC(F)(F)F)N1CC=C(c2cccn3nc(Nc4cnn(CC(F)F)c4)nc23)CC1
• InChI: InChI=1S/C20H20F5N7O.C16H30BNO4.C16H21N5O2.C15H16F3N5O.C6H5BrN4.C5H7F2N3/c21-16(22)12-31-11-14(10-26-31)27-19-28-18-15(2-1-7-32(18)29-19)13-4-8-30(9-5-13)17(33)3-6-20(23,24)25;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)23-15(22)20-9-6-11(7-10-20)12-5-4-8-21-13(12)18-14(17)19-21;16-15(17,18)6-3-12(24)22-8-4-10(5-9-22)11-2-1-7-23-13(11)20-14(19)21-23;7-4-2-1-3-11-5(4)9-6(8)10-11;6-5(7)3-10-2-4(8)1-9-10/h1-2,4,7,10-11,16H,3,5-6,8-9,12H2,(H,27,29);12H,8-11H2,1-7H3;4-6,8H,7,9-10H2,1-3H3,(H2,17,19);1-2,4,7H,3,5-6,8-9H2,(H2,19,21);1-3H,(H2,8,10);1-2,5H,3,8H2
• InChIKey: BCVRUYWBAPFZHO-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 390.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.51
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one?

The IUPAC name of 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one (CID 157309294) is 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one.

What is the SMILES notation for 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one?

The canonical SMILES for 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one is CC(C)(C)OC(=O)N1CC=C(c2cccn3nc(N)nc23)CC1.CC(C)(C)OC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1.Nc1cnn(CC(F)F)c1.Nc1nc2c(Br)cccn2n1.Nc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1.O=C(CCC(F)(F)F)N1CC=C(c2cccn3nc(Nc4cnn(CC(F)F)c4)nc23)CC1.

What is the InChIKey of 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one?

The InChIKey is BCVRUYWBAPFZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N7O.C16H30BNO4.C16H21N5O2.C15H16F3N5O.C6H5BrN4.C5H7F2N3/c21-16(22)12-31-11-14(10-26-31)27-19-28-18-15(2-1-7-32(18)29-19)13-4-8-30(9-5-13)17(33)3-6-20(23,24)25;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)23-15(22)20-9-6-11(7-10-20)12-5-4-8-21-13(12)18-14(17)19-21;16-15(17,18)6-3-12(24)22-8-4-10(5-9-22)11-2-1-7-23-13(11)20-14(19)21-23;7-4-2-1-3-11-5(4)9-6(8)10-11;6-5(7)3-10-2-4(8)1-9-10/h1-2,4,7,10-11,16H,3,5-6,8-9,12H2,(H,27,29);12H,8-11H2,1-7H3;4-6,8H,7,9-10H2,1-3H3,(H2,17,19);1-2,4,7H,3,5-6,8-9H2,(H2,19,21);1-3H,(H2,8,10);1-2,5H,3,8H2.

What are the key properties of 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one?

1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 1795.51 g/mol, XLogP of 13.78, 14 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 157309294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).