N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone

C148H184BrCl2N37O16S6 — CID 157343276

IUPACN-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone
SMILESC[C@H]1CCN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C1.C[C@H]1CN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C[C@H]1C#N.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)s1.Cc1cc2nc([C@@H]3CCCCN3C(=O)C(NS(C)(=O)=O)c3ccccc3Br)cn2nc1N1CC[C@H](C)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)c1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)ccc3n2)n1
InChIInChI=1S/C26H33BrN6O3S.C26H34N6O3S.C25H28ClN7O3S.C24H29ClN6O3S.C24H32N6O3S2.C23H28N6O/c1-17-11-13-31(15-17)25-18(2)14-23-28-21(16-33(23)29-25)22-10-6-7-12-32(22)26(34)24(30-37(3,35)36)19-8-4-5-9-20(19)27;1-17-8-9-21(29-36(4,34)35)20(13-17)26(33)31-11-6-5-7-23(31)22-16-32-24(27-22)14-19(3)25(28-32)30-12-10-18(2)15-30;1-16-13-31(14-17(16)12-27)24-9-8-23-28-21(15-33(23)29-24)22-5-3-4-10-32(22)25(34)19-11-18(26)6-7-20(19)30-37(2,35)36;1-16-10-12-29(14-16)23-9-8-22-26-20(15-31(22)27-23)21-5-3-4-11-30(21)24(32)18-13-17(25)6-7-19(18)28-35(2,33)34;1-15-8-10-28(13-15)23-16(2)11-21-25-19(14-30(21)26-23)20-7-5-6-9-29(20)24(31)22-18(12-17(3)34-22)27-35(4,32)33;1-16-11-13-27(14-16)22-10-9-21-25-19(15-29(21)26-22)20-8-3-4-12-28(20)23(30)18-7-5-6-17(2)24-18/h4-5,8-9,14,16-17,22,24,30H,6-7,10-13,15H2,1-3H3;8-9,13-14,16,18,23,29H,5-7,10-12,15H2,1-4H3;6-9,11,15-17,22,30H,3-5,10,13-14H2,1-2H3;6-9,13,15-16,21,28H,3-5,10-12,14H2,1-2H3;11-12,14-15,20,27H,5-10,13H2,1-4H3;5-7,9-10,15-16,20H,3-4,8,11-14H2,1-2H3/t17-,22-,24?;18-,23-;16-,17+,22-;16-,21-;15-,20-;16-,20-/m000000/s1
InChIKeyBGQQBJRJGTYDCF-UTJASBCSSA-N
MW3080.55 g/mol
LogP23.25
Rot. Bonds29

About N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone

N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone (PubChem CID 157343276) has the molecular formula C148H184BrCl2N37O16S6 and a molecular weight of 3080.55 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone
PubChem CID157343276
Molecular FormulaC148H184BrCl2N37O16S6
Molecular Weight3080.55 g/mol
Exact Mass3076.16
IUPAC NameN-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone
SMILESC[C@H]1CCN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C1.C[C@H]1CN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C[C@H]1C#N.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)s1.Cc1cc2nc([C@@H]3CCCCN3C(=O)C(NS(C)(=O)=O)c3ccccc3Br)cn2nc1N1CC[C@H](C)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)c1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)ccc3n2)n1
InChIInChI=1S/C26H33BrN6O3S.C26H34N6O3S.C25H28ClN7O3S.C24H29ClN6O3S.C24H32N6O3S2.C23H28N6O/c1-17-11-13-31(15-17)25-18(2)14-23-28-21(16-33(23)29-25)22-10-6-7-12-32(22)26(34)24(30-37(3,35)36)19-8-4-5-9-20(19)27;1-17-8-9-21(29-36(4,34)35)20(13-17)26(33)31-11-6-5-7-23(31)22-16-32-24(27-22)14-19(3)25(28-32)30-12-10-18(2)15-30;1-16-13-31(14-17(16)12-27)24-9-8-23-28-21(15-33(23)29-24)22-5-3-4-10-32(22)25(34)19-11-18(26)6-7-20(19)30-37(2,35)36;1-16-10-12-29(14-16)23-9-8-22-26-20(15-31(22)27-23)21-5-3-4-11-30(21)24(32)18-13-17(25)6-7-19(18)28-35(2,33)34;1-15-8-10-28(13-15)23-16(2)11-21-25-19(14-30(21)26-23)20-7-5-6-9-29(20)24(31)22-18(12-17(3)34-22)27-35(4,32)33;1-16-11-13-27(14-16)22-10-9-21-25-19(15-29(21)26-22)20-8-3-4-12-28(20)23(30)18-7-5-6-17(2)24-18/h4-5,8-9,14,16-17,22,24,30H,6-7,10-13,15H2,1-3H3;8-9,13-14,16,18,23,29H,5-7,10-12,15H2,1-4H3;6-9,11,15-17,22,30H,3-5,10,13-14H2,1-2H3;6-9,13,15-16,21,28H,3-5,10-12,14H2,1-2H3;11-12,14-15,20,27H,5-10,13H2,1-4H3;5-7,9-10,15-16,20H,3-4,8,11-14H2,1-2H3/t17-,22-,24?;18-,23-;16-,17+,22-;16-,21-;15-,20-;16-,20-/m000000/s1
InChIKeyBGQQBJRJGTYDCF-UTJASBCSSA-N
XLogP23.25
TPSA589.97 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003080.55
LogP ≤ 523.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone (CID 157343276) is N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone is C[C@H]1CCN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C1.C[C@H]1CN(c2ccc3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cn3n2)C[C@H]1C#N.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)s1.Cc1cc2nc([C@@H]3CCCCN3C(=O)C(NS(C)(=O)=O)c3ccccc3Br)cn2nc1N1CC[C@H](C)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)c(C)cc3n2)c1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](C)C4)ccc3n2)n1.
What is the InChIKey of N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is BGQQBJRJGTYDCF-UTJASBCSSA-N. The full InChI is InChI=1S/C26H33BrN6O3S.C26H34N6O3S.C25H28ClN7O3S.C24H29ClN6O3S.C24H32N6O3S2.C23H28N6O/c1-17-11-13-31(15-17)25-18(2)14-23-28-21(16-33(23)29-25)22-10-6-7-12-32(22)26(34)24(30-37(3,35)36)19-8-4-5-9-20(19)27;1-17-8-9-21(29-36(4,34)35)20(13-17)26(33)31-11-6-5-7-23(31)22-16-32-24(27-22)14-19(3)25(28-32)30-12-10-18(2)15-30;1-16-13-31(14-17(16)12-27)24-9-8-23-28-21(15-33(23)29-24)22-5-3-4-10-32(22)25(34)19-11-18(26)6-7-20(19)30-37(2,35)36;1-16-10-12-29(14-16)23-9-8-22-26-20(15-31(22)27-23)21-5-3-4-11-30(21)24(32)18-13-17(25)6-7-19(18)28-35(2,33)34;1-15-8-10-28(13-15)23-16(2)11-21-25-19(14-30(21)26-23)20-7-5-6-9-29(20)24(31)22-18(12-17(3)34-22)27-35(4,32)33;1-16-11-13-27(14-16)22-10-9-21-25-19(15-29(21)26-22)20-8-3-4-12-28(20)23(30)18-7-5-6-17(2)24-18/h4-5,8-9,14,16-17,22,24,30H,6-7,10-13,15H2,1-3H3;8-9,13-14,16,18,23,29H,5-7,10-12,15H2,1-4H3;6-9,11,15-17,22,30H,3-5,10,13-14H2,1-2H3;6-9,13,15-16,21,28H,3-5,10-12,14H2,1-2H3;11-12,14-15,20,27H,5-10,13H2,1-4H3;5-7,9-10,15-16,20H,3-4,8,11-14H2,1-2H3/t17-,22-,24?;18-,23-;16-,17+,22-;16-,21-;15-,20-;16-,20-/m000000/s1.
What are the key properties of N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone?
N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 3080.55 g/mol, XLogP of 23.25, 29 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S,4R)-3-cyano-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;(6-methyl-2-pyridinyl)-[(2S)-2-[6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 157343276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).