[6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

C83H119F9N20O6 — CID 160783415

About [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

[6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160783415) has the molecular formula C83H119F9N20O6 and a molecular weight of 1663.98 g/mol. Its IUPAC name is [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 160783415
• Molecular Formula: C83H119F9N20O6
• Molecular Weight: 1663.98 g/mol
• Exact Mass: 1662.95
• IUPAC Name: [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC#Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)(O)CC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CC(C)C(O)C1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(NCC2CCC(N)CC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H23N5O.2C20H24F3N5O2.C19H22F3N5O.13H2/c1-2-7-18-11-12-21(28-22(18)23(30)19-10-6-13-27-24(19)25)29-15-14-26-20(16-29)17-8-4-3-5-9-17;1-19(2,30)10-12-11-28(9-8-25-12)15-6-5-14(20(21,22)23)16(27-15)17(29)13-4-3-7-26-18(13)24;1-11(2)17(29)14-10-28(9-8-25-14)15-6-5-13(20(21,22)23)16(27-15)18(30)12-4-3-7-26-19(12)24;20-19(21,22)14-7-8-15(26-10-11-3-5-12(23)6-4-11)27-16(14)17(28)13-2-1-9-25-18(13)24;;;;;;;;;;;;;/h3-6,8-13,20,26H,14-16H2,1H3,(H2,25,27);3-7,12,25,30H,8-11H2,1-2H3,(H2,24,26);3-7,11,14,17,25,29H,8-10H2,1-2H3,(H2,24,26);1-2,7-9,11-12H,3-6,10,23H2,(H2,24,25)(H,26,27);13*1H/t20-;;;;;;;;;;;;;;;;/m1................/s1
• InChIKey: SAWPBEUDGLHOOT-FZUQFYDOSA-N
• XLogP: 13.60
• TPSA: 399.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1663.98
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (CID 160783415) is [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is CC#Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)(O)CC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CC(C)C(O)C1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(NCC2CCC(N)CC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is SAWPBEUDGLHOOT-FZUQFYDOSA-N. The full InChI is InChI=1S/C24H23N5O.2C20H24F3N5O2.C19H22F3N5O.13H2/c1-2-7-18-11-12-21(28-22(18)23(30)19-10-6-13-27-24(19)25)29-15-14-26-20(16-29)17-8-4-3-5-9-17;1-19(2,30)10-12-11-28(9-8-25-12)15-6-5-14(20(21,22)23)16(27-15)17(29)13-4-3-7-26-18(13)24;1-11(2)17(29)14-10-28(9-8-25-14)15-6-5-13(20(21,22)23)16(27-15)18(30)12-4-3-7-26-19(12)24;20-19(21,22)14-7-8-15(26-10-11-3-5-12(23)6-4-11)27-16(14)17(28)13-2-1-9-25-18(13)24;;;;;;;;;;;;;/h3-6,8-13,20,26H,14-16H2,1H3,(H2,25,27);3-7,12,25,30H,8-11H2,1-2H3,(H2,24,26);3-7,11,14,17,25,29H,8-10H2,1-2H3,(H2,24,26);1-2,7-9,11-12H,3-6,10,23H2,(H2,24,25)(H,26,27);13*1H/t20-;;;;;;;;;;;;;;;;/m1................/s1.

What are the key properties of [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

[6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1663.98 g/mol, XLogP of 13.60, 19 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(4-aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160783415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).