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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride

C76H101ClF9N25O8 — CID 158224023

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride (PubChem CID 158224023) has the molecular formula C76H101ClF9N25O8 and a molecular weight of 1699.25 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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride.

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride
• PubChem CID: 158224023
• Molecular Formula: C76H101ClF9N25O8
• Molecular Weight: 1699.25 g/mol
• Exact Mass: 1697.78
• 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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride
• SMILES: C.CC(C)(C)ON=O.CC(C)CN1CCC(N(C)C(=O)Cn2cc(Nc3nc4c(C5=CCN(C(=O)CCC(F)(F)F)CC5)cccn4n3)cn2)CC1.CN1CC=C(c2cccn3nc(N)nc23)CC1.Cl.Nc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1.Nc1nc2c(C3=CCNCC3)cccn2n1.O=C(O)COC(F)(F)F
• InChI: InChI=1S/C30H40F3N9O2.C15H16F3N5O.C12H15N5.C11H13N5.C4H9NO2.C3H3F3O3.CH4.ClH/c1-21(2)18-39-13-9-24(10-14-39)38(3)27(44)20-41-19-23(17-34-41)35-29-36-28-25(5-4-12-42(28)37-29)22-7-15-40(16-8-22)26(43)6-11-30(31,32)33;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;1-16-7-4-9(5-8-16)10-3-2-6-17-11(10)14-12(13)15-17;12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8;1-4(2,3)7-5-6;4-3(5,6)9-1-2(7)8;;/h4-5,7,12,17,19,21,24H,6,8-11,13-16,18,20H2,1-3H3,(H,35,37);1-2,4,7H,3,5-6,8-9H2,(H2,19,21);2-4,6H,5,7-8H2,1H3,(H2,13,15);1-3,7,13H,4-6H2,(H2,12,15);1-3H3;1H2,(H,7,8);1H4;1H
• InChIKey: YYFGLORCYLHXQM-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 393.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1699.25
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride?

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride (CID 158224023) 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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride.

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride?

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride is C.CC(C)(C)ON=O.CC(C)CN1CCC(N(C)C(=O)Cn2cc(Nc3nc4c(C5=CCN(C(=O)CCC(F)(F)F)CC5)cccn4n3)cn2)CC1.CN1CC=C(c2cccn3nc(N)nc23)CC1.Cl.Nc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1.Nc1nc2c(C3=CCNCC3)cccn2n1.O=C(O)COC(F)(F)F.

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride?

The InChIKey is YYFGLORCYLHXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N9O2.C15H16F3N5O.C12H15N5.C11H13N5.C4H9NO2.C3H3F3O3.CH4.ClH/c1-21(2)18-39-13-9-24(10-14-39)38(3)27(44)20-41-19-23(17-34-41)35-29-36-28-25(5-4-12-42(28)37-29)22-7-15-40(16-8-22)26(43)6-11-30(31,32)33;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;1-16-7-4-9(5-8-16)10-3-2-6-17-11(10)14-12(13)15-17;12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8;1-4(2,3)7-5-6;4-3(5,6)9-1-2(7)8;;/h4-5,7,12,17,19,21,24H,6,8-11,13-16,18,20H2,1-3H3,(H,35,37);1-2,4,7H,3,5-6,8-9H2,(H2,19,21);2-4,6H,5,7-8H2,1H3,(H2,13,15);1-3,7,13H,4-6H2,(H2,12,15);1-3H3;1H2,(H,7,8);1H4;1H.

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride?

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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride has a molecular weight of 1699.25 g/mol, XLogP of 11.34, 18 rotatable bonds, 6 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;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride is sourced from PubChem (CID 158224023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).