N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine

C119H121ClN32O2S — CID 159342532

IUPACN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1cc(NCc2ccc(CO)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(CO)nc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(Cl)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2cccs2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1
InChIInChI=1S/C25H26N6O.C24H23ClN6.C24H25N7O.C24H25N7.C22H22N6S/c1-15-11-22(26-13-18-5-7-19(14-32)8-6-18)25-27-17(3)24(31(25)28-15)20-9-10-23-21(12-20)16(2)29-30(23)4;1-14-11-21(26-13-17-5-8-19(25)9-6-17)24-27-16(3)23(31(24)28-14)18-7-10-22-20(12-18)15(2)29-30(22)4;1-14-9-21(26-12-17-5-7-19(13-32)25-11-17)24-27-16(3)23(31(24)28-14)18-6-8-22-20(10-18)15(2)29-30(22)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-13-10-19(23-12-17-6-5-9-29-17)22-24-15(3)21(28(22)25-13)16-7-8-20-18(11-16)14(2)26-27(20)4/h5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;5-11,26,32H,12-13H2,1-4H3;6-12,26H,13H2,1-5H3;5-11,23H,12H2,1-4H3
InChIKeyLGHRXIWJVSKTIA-UHFFFAOYSA-N
MW2099.02 g/mol
LogP22.90
Rot. Bonds22

About N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine

N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 159342532) has the molecular formula C119H121ClN32O2S and a molecular weight of 2099.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID159342532
Molecular FormulaC119H121ClN32O2S
Molecular Weight2099.02 g/mol
Exact Mass2096.98
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1cc(NCc2ccc(CO)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(CO)nc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(Cl)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2cccs2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1
InChIInChI=1S/C25H26N6O.C24H23ClN6.C24H25N7O.C24H25N7.C22H22N6S/c1-15-11-22(26-13-18-5-7-19(14-32)8-6-18)25-27-17(3)24(31(25)28-15)20-9-10-23-21(12-20)16(2)29-30(23)4;1-14-11-21(26-13-17-5-8-19(25)9-6-17)24-27-16(3)23(31(24)28-14)18-7-10-22-20(12-18)15(2)29-30(22)4;1-14-9-21(26-12-17-5-7-19(13-32)25-11-17)24-27-16(3)23(31(24)28-14)18-6-8-22-20(10-18)15(2)29-30(22)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-13-10-19(23-12-17-6-5-9-29-17)22-24-15(3)21(28(22)25-13)16-7-8-20-18(11-16)14(2)26-27(20)4/h5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;5-11,26,32H,12-13H2,1-4H3;6-12,26H,13H2,1-5H3;5-11,23H,12H2,1-4H3
InChIKeyLGHRXIWJVSKTIA-UHFFFAOYSA-N
XLogP22.90
TPSA366.44 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002099.02
LogP ≤ 522.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine with MolForge

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Related Compounds

CID 162270999
CID 162270999
3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 157091024
4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide;N-[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]methanol;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157194288
5-ethyl-2-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;4-(methylsulfonylmethyl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(3-methyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine;[5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-2H-triazol-4-yl]methanol;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(1,2,4-triazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 157480887
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylbenzimidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-1-ium-4-amine
CID 157770924
[5-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]methanol;4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;methane;4-[[3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(6-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;3-[(3-naphthalen-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 158095126
3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol;4-[[3-(1-benzothiophen-2-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 158118061
3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-b]pyridazin-8-amine;N-[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-8-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158145525
7-[Chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 158278026
(1S)-1-(4-chloro-2-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine;(1R)-1-(4-chloro-2-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine;(1S)-1-(4-chlorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol;(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 158384048
(4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine
CID 158735637
5-ethyl-2-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;4-(methylsulfonylmethyl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(3-methyl-3H-1,2,4-triazol-4-ium-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine;[5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-2H-triazol-4-yl]methanol;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(1,2,4-triazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 158808613

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine (CID 159342532) is N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine is Cc1cc(NCc2ccc(CO)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(CO)nc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2ccc(Cl)cc2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1cc(NCc2cccs2)c2nc(C)c(-c3ccc4c(c3)c(C)nn4C)n2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is LGHRXIWJVSKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O.C24H23ClN6.C24H25N7O.C24H25N7.C22H22N6S/c1-15-11-22(26-13-18-5-7-19(14-32)8-6-18)25-27-17(3)24(31(25)28-15)20-9-10-23-21(12-20)16(2)29-30(23)4;1-14-11-21(26-13-17-5-8-19(25)9-6-17)24-27-16(3)23(31(24)28-14)18-7-10-22-20(12-18)15(2)29-30(22)4;1-14-9-21(26-12-17-5-7-19(13-32)25-11-17)24-27-16(3)23(31(24)28-14)18-6-8-22-20(10-18)15(2)29-30(22)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-13-10-19(23-12-17-6-5-9-29-17)22-24-15(3)21(28(22)25-13)16-7-8-20-18(11-16)14(2)26-27(20)4/h5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;5-11,26,32H,12-13H2,1-4H3;6-12,26H,13H2,1-5H3;5-11,23H,12H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 2099.02 g/mol, XLogP of 22.90, 22 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 159342532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).