[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

C114H137F3N30O5 — CID 159126136

IUPAC[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCCC(CC)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.CCn1cc2c(c1Cc1ccc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nn1)CCCC2.Cc1cn(-c2ccc(-c3cc(C)c(NC(C(C)C)C(C)C)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCC(C(F)(F)F)CC4)nn3)nc2CO)cn1
InChIInChI=1S/2C25H28N6O.C22H25F3N6O.C22H30N6O.C20H26N6O/c1-4-30-15-18-7-5-6-8-20(18)24(30)13-19-9-10-22(29-28-19)21-11-12-23(25(27-21)32-3)31-14-17(2)26-16-31;1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31;1-13-9-18(17-7-8-20(19(11-32)28-17)31-10-14(2)26-12-31)29-30-21(13)27-16-5-3-15(4-6-16)22(23,24)25;1-13(2)21(14(3)4)25-22-15(5)9-18(26-27-22)17-7-8-20(19(11-29)24-17)28-10-16(6)23-12-28;1-5-15(6-2)22-20-13(3)9-17(24-25-20)16-7-8-19(18(11-27)23-16)26-10-14(4)21-12-26/h9-12,14-16H,4-8,13H2,1-3H3;7-11,13-15,19H,6,12H2,1-5H3;7-10,12,15-16,32H,3-6,11H2,1-2H3,(H,27,30);7-10,12-14,21,29H,11H2,1-6H3,(H,25,27);7-10,12,15,27H,5-6,11H2,1-4H3,(H,22,25)/t;19-;;;/m.1.../s1
InChIKeyKGHKIXIVIBVZSV-HHZPVKHOSA-N
MW2064.55 g/mol
LogP20.85
Rot. Bonds32

About [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 159126136) has the molecular formula C114H137F3N30O5 and a molecular weight of 2064.55 g/mol. Its IUPAC name is [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID159126136
Molecular FormulaC114H137F3N30O5
Molecular Weight2064.55 g/mol
Exact Mass2063.13
IUPAC Name[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCCC(CC)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.CCn1cc2c(c1Cc1ccc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nn1)CCCC2.Cc1cn(-c2ccc(-c3cc(C)c(NC(C(C)C)C(C)C)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCC(C(F)(F)F)CC4)nn3)nc2CO)cn1
InChIInChI=1S/2C25H28N6O.C22H25F3N6O.C22H30N6O.C20H26N6O/c1-4-30-15-18-7-5-6-8-20(18)24(30)13-19-9-10-22(29-28-19)21-11-12-23(25(27-21)32-3)31-14-17(2)26-16-31;1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31;1-13-9-18(17-7-8-20(19(11-32)28-17)31-10-14(2)26-12-31)29-30-21(13)27-16-5-3-15(4-6-16)22(23,24)25;1-13(2)21(14(3)4)25-22-15(5)9-18(26-27-22)17-7-8-20(19(11-29)24-17)28-10-16(6)23-12-28;1-5-15(6-2)22-20-13(3)9-17(24-25-20)16-7-8-19(18(11-27)23-16)26-10-14(4)21-12-26/h9-12,14-16H,4-8,13H2,1-3H3;7-11,13-15,19H,6,12H2,1-5H3;7-10,12,15-16,32H,3-6,11H2,1-2H3,(H,27,30);7-10,12-14,21,29H,11H2,1-6H3,(H,25,27);7-10,12,15,27H,5-6,11H2,1-4H3,(H,22,25)/t;19-;;;/m.1.../s1
InChIKeyKGHKIXIVIBVZSV-HHZPVKHOSA-N
XLogP20.85
TPSA415.51 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002064.55
LogP ≤ 520.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-[2-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1H-pyrazol-2-ium-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123709459
N-[[5-(6-methylpyridin-2-yl)-4-[2-[[4-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 132035366
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
3-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157145168
3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(propan-2-yloxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157167221

Frequently Asked Questions

What is the IUPAC name of [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 159126136) is [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is CCC(CC)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.CCn1cc2c(c1Cc1ccc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nn1)CCCC2.Cc1cn(-c2ccc(-c3cc(C)c(NC(C(C)C)C(C)C)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCC(C(F)(F)F)CC4)nn3)nc2CO)cn1.
What is the InChIKey of [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is KGHKIXIVIBVZSV-HHZPVKHOSA-N. The full InChI is InChI=1S/2C25H28N6O.C22H25F3N6O.C22H30N6O.C20H26N6O/c1-4-30-15-18-7-5-6-8-20(18)24(30)13-19-9-10-22(29-28-19)21-11-12-23(25(27-21)32-3)31-14-17(2)26-16-31;1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31;1-13-9-18(17-7-8-20(19(11-32)28-17)31-10-14(2)26-12-31)29-30-21(13)27-16-5-3-15(4-6-16)22(23,24)25;1-13(2)21(14(3)4)25-22-15(5)9-18(26-27-22)17-7-8-20(19(11-29)24-17)28-10-16(6)23-12-28;1-5-15(6-2)22-20-13(3)9-17(24-25-20)16-7-8-19(18(11-27)23-16)26-10-14(4)21-12-26/h9-12,14-16H,4-8,13H2,1-3H3;7-11,13-15,19H,6,12H2,1-5H3;7-10,12,15-16,32H,3-6,11H2,1-2H3,(H,27,30);7-10,12-14,21,29H,11H2,1-6H3,(H,25,27);7-10,12,15,27H,5-6,11H2,1-4H3,(H,22,25)/t;19-;;;/m.1.../s1.
What are the key properties of [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 2064.55 g/mol, XLogP of 20.85, 32 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 159126136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).