[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol

C101H114N24O4 — CID 159338739

IUPAC[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol
SMILESCCc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@H](C)c1ccc(C)cc1.Cc1ccc(CNc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C(C)C)c(N[C@@H](C)c4ccccc4)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.3C25H28N6O/c1-16(2)21-12-23(30-31-26(21)28-19(5)20-8-6-17(3)7-9-20)22-10-11-25(24(14-33)29-22)32-13-18(4)27-15-32;1-16(2)20-11-22(29-30-25(20)26-12-19-7-5-17(3)6-8-19)21-9-10-24(23(14-32)28-21)31-13-18(4)27-15-31;1-16(2)20-12-22(29-30-25(20)27-18(4)19-8-6-5-7-9-19)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31;1-5-19-12-22(29-30-25(19)27-18(4)20-8-6-16(2)7-9-20)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31/h6-13,15-16,19,33H,14H2,1-5H3,(H,28,31);5-11,13,15-16,32H,12,14H2,1-4H3,(H,26,30);5-13,15-16,18,32H,14H2,1-4H3,(H,27,30);6-13,15,18,32H,5,14H2,1-4H3,(H,27,30)/t19-;;2*18-/m0.01/s1
InChIKeyLFWHYSCKGHOVOV-UDXSXEGTSA-N
MW1728.19 g/mol
LogP19.09
Rot. Bonds28

About [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol

[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 159338739) has the molecular formula C101H114N24O4 and a molecular weight of 1728.19 g/mol. Its IUPAC name is [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID159338739
Molecular FormulaC101H114N24O4
Molecular Weight1728.19 g/mol
Exact Mass1726.95
IUPAC Name[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol
SMILESCCc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@H](C)c1ccc(C)cc1.Cc1ccc(CNc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C(C)C)c(N[C@@H](C)c4ccccc4)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.3C25H28N6O/c1-16(2)21-12-23(30-31-26(21)28-19(5)20-8-6-17(3)7-9-20)22-10-11-25(24(14-33)29-22)32-13-18(4)27-15-32;1-16(2)20-11-22(29-30-25(20)26-12-19-7-5-17(3)6-8-19)21-9-10-24(23(14-32)28-21)31-13-18(4)27-15-31;1-16(2)20-12-22(29-30-25(20)27-18(4)19-8-6-5-7-9-19)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31;1-5-19-12-22(29-30-25(19)27-18(4)20-8-6-16(2)7-9-20)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31/h6-13,15-16,19,33H,14H2,1-5H3,(H,28,31);5-11,13,15-16,32H,12,14H2,1-4H3,(H,26,30);5-13,15-16,18,32H,14H2,1-4H3,(H,27,30);6-13,15,18,32H,5,14H2,1-4H3,(H,27,30)/t19-;;2*18-/m0.01/s1
InChIKeyLFWHYSCKGHOVOV-UDXSXEGTSA-N
XLogP19.09
TPSA355.00 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.19
LogP ≤ 519.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
1-(4-fluorophenyl)-1-[2-[4-[1-[(4-fluorophenyl)-hydroxy-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-1-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123926282
[6-[6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391167
[6-[6-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391171
[6-[6-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391173
[6-[6-[1-(4-Fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391177
[6-[6-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391189
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391191
[6-[6-[[(1S)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391198
[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391210
[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391211
[6-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391243

Frequently Asked Questions

What is the IUPAC name of [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol (CID 159338739) is [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol is CCc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@H](C)c1ccc(C)cc1.Cc1ccc(CNc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C(C)C)c(N[C@@H](C)c4ccccc4)nn3)nc2CO)cn1.
What is the InChIKey of [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is LFWHYSCKGHOVOV-UDXSXEGTSA-N. The full InChI is InChI=1S/C26H30N6O.3C25H28N6O/c1-16(2)21-12-23(30-31-26(21)28-19(5)20-8-6-17(3)7-9-20)22-10-11-25(24(14-33)29-22)32-13-18(4)27-15-32;1-16(2)20-11-22(29-30-25(20)26-12-19-7-5-17(3)6-8-19)21-9-10-24(23(14-32)28-21)31-13-18(4)27-15-31;1-16(2)20-12-22(29-30-25(20)27-18(4)19-8-6-5-7-9-19)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31;1-5-19-12-22(29-30-25(19)27-18(4)20-8-6-16(2)7-9-20)21-10-11-24(23(14-32)28-21)31-13-17(3)26-15-31/h6-13,15-16,19,33H,14H2,1-5H3,(H,28,31);5-11,13,15-16,32H,12,14H2,1-4H3,(H,26,30);5-13,15-16,18,32H,14H2,1-4H3,(H,27,30);6-13,15,18,32H,5,14H2,1-4H3,(H,27,30)/t19-;;2*18-/m0.01/s1.
What are the key properties of [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol?
[6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 1728.19 g/mol, XLogP of 19.09, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-ethyl-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[[(1S)-1-phenylethyl]amino]-5-propan-2-ylpyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 159338739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).