[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol

C118H130N30O7 — CID 159738023

About [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol

[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 159738023) has the molecular formula C118H130N30O7 and a molecular weight of 2080.54 g/mol. Its IUPAC name is [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol
• PubChem CID: 159738023
• Molecular Formula: C118H130N30O7
• Molecular Weight: 2080.54 g/mol
• Exact Mass: 2079.07
• IUPAC Name: [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol
• SMILES: C.C.Cc1ccc(CCCNc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1ccc([C@H](CO)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(CC4C[C@H]4c4ccccc4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC(C)c4nc5ccccc5o4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CC4)nn3)nc2CO)cn1
• InChI: InChI=1S/C25H28N6O.C25H25N5O.C24H23N7O2.C24H26N6O2.C18H20N6O.2CH4/c1-17-6-8-20(9-7-17)5-4-12-26-25-18(2)13-22(29-30-25)21-10-11-24(23(15-32)28-21)31-14-19(3)27-16-31;1-16-10-23(21-8-9-25(24(14-31)27-21)30-13-17(2)26-15-30)29-28-22(16)12-19-11-20(19)18-6-4-3-5-7-18;1-14-10-19(17-8-9-21(20(12-32)27-17)31-11-15(2)25-13-31)29-30-23(14)26-16(3)24-28-18-6-4-5-7-22(18)33-24;1-15-4-6-18(7-5-15)21(12-31)27-24-16(2)10-20(28-29-24)19-8-9-23(22(13-32)26-19)30-11-17(3)25-14-30;1-11-7-15(22-23-18(11)20-13-3-4-13)14-5-6-17(16(9-25)21-14)24-8-12(2)19-10-24;;/h6-11,13-14,16,32H,4-5,12,15H2,1-3H3,(H,26,30);3-10,13,15,19-20,31H,11-12,14H2,1-2H3;4-11,13,16,32H,12H2,1-3H3,(H,26,30);4-11,14,21,31-32H,12-13H2,1-3H3,(H,27,29);5-8,10,13,25H,3-4,9H2,1-2H3,(H,20,23);2*1H4/t;19?,20-;;21-;;;/m.0.0.../s1
• InChIKey: NCBUOAXBGWFVKX-GZPZRTCHSA-N
• XLogP: 19.48
• TPSA: 477.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.54
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol?

The IUPAC name of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol (CID 159738023) is [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol.

What is the SMILES notation for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol?

The canonical SMILES for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol is C.C.Cc1ccc(CCCNc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1ccc([C@H](CO)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(CC4C[C@H]4c4ccccc4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC(C)c4nc5ccccc5o4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CC4)nn3)nc2CO)cn1.

What is the InChIKey of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol?

The InChIKey is NCBUOAXBGWFVKX-GZPZRTCHSA-N. The full InChI is InChI=1S/C25H28N6O.C25H25N5O.C24H23N7O2.C24H26N6O2.C18H20N6O.2CH4/c1-17-6-8-20(9-7-17)5-4-12-26-25-18(2)13-22(29-30-25)21-10-11-24(23(15-32)28-21)31-14-19(3)27-16-31;1-16-10-23(21-8-9-25(24(14-31)27-21)30-13-17(2)26-15-30)29-28-22(16)12-19-11-20(19)18-6-4-3-5-7-18;1-14-10-19(17-8-9-21(20(12-32)27-17)31-11-15(2)25-13-31)29-30-23(14)26-16(3)24-28-18-6-4-5-7-22(18)33-24;1-15-4-6-18(7-5-15)21(12-31)27-24-16(2)10-20(28-29-24)19-8-9-23(22(13-32)26-19)30-11-17(3)25-14-30;1-11-7-15(22-23-18(11)20-13-3-4-13)14-5-6-17(16(9-25)21-14)24-8-12(2)19-10-24;;/h6-11,13-14,16,32H,4-5,12,15H2,1-3H3,(H,26,30);3-10,13,15,19-20,31H,11-12,14H2,1-2H3;4-11,13,16,32H,12H2,1-3H3,(H,26,30);4-11,14,21,31-32H,12-13H2,1-3H3,(H,27,29);5-8,10,13,25H,3-4,9H2,1-2H3,(H,20,23);2*1H4/t;19?,20-;;21-;;;/m.0.0.../s1.

What are the key properties of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol?

[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 2080.54 g/mol, XLogP of 19.48, 32 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-(cyclopropylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[3-(4-methylphenyl)propylamino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-2-phenylcyclopropyl]methyl]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 159738023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).