N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

C117H147Cl3N34O15S6 — CID 162107541

IUPACN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CC[C@H](N)C3)ccc2n1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)s1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)c1
InChIInChI=1S/C25H33N7O3S.C24H30ClN7O3S.C23H28ClN7O3S.C23H31N7O3S2.C22H25ClN6O3S/c1-16-7-8-20(29-36(3,34)35)19(12-16)25(33)31-10-5-4-6-22(31)21-15-32-23(27-21)13-17(2)24(28-32)30-11-9-18(26)14-30;1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-35(33,34)28-18-6-5-15(24)12-17(18)23(32)30-10-3-2-4-20(30)19-14-31-21(26-19)7-8-22(27-31)29-11-9-16(25)13-29;1-14-10-20-25-18(13-30(20)26-22(14)28-9-7-16(24)12-28)19-6-4-5-8-29(19)23(31)21-17(11-15(2)34-21)27-35(3,32)33;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27/h7-8,12-13,15,18,22,29H,4-6,9-11,14,26H2,1-3H3;6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;5-8,12,14,16,20,28H,2-4,9-11,13,25H2,1H3;10-11,13,16,19,27H,4-9,12,24H2,1-3H3;6-9,13-14,19,26H,2-5,10-12H2,1H3/t18-,22-;17-,21-;16-,20-;16-,19-;19-/m00000/s1
InChIKeyZFSAEBDFILGKNX-ZWKQXARKSA-N
MW2568.45 g/mol
LogP14.26
Rot. Bonds25

About N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (PubChem CID 162107541) has the molecular formula C117H147Cl3N34O15S6 and a molecular weight of 2568.45 g/mol. Its IUPAC name is N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
PubChem CID162107541
Molecular FormulaC117H147Cl3N34O15S6
Molecular Weight2568.45 g/mol
Exact Mass2564.92
IUPAC NameN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CC[C@H](N)C3)ccc2n1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)s1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)c1
InChIInChI=1S/C25H33N7O3S.C24H30ClN7O3S.C23H28ClN7O3S.C23H31N7O3S2.C22H25ClN6O3S/c1-16-7-8-20(29-36(3,34)35)19(12-16)25(33)31-10-5-4-6-22(31)21-15-32-23(27-21)13-17(2)24(28-32)30-11-9-18(26)14-30;1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-35(33,34)28-18-6-5-15(24)12-17(18)23(32)30-10-3-2-4-20(30)19-14-31-21(26-19)7-8-22(27-31)29-11-9-16(25)13-29;1-14-10-20-25-18(13-30(20)26-22(14)28-9-7-16(24)12-28)19-6-4-5-8-29(19)23(31)21-17(11-15(2)34-21)27-35(3,32)33;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27/h7-8,12-13,15,18,22,29H,4-6,9-11,14,26H2,1-3H3;6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;5-8,12,14,16,20,28H,2-4,9-11,13,25H2,1H3;10-11,13,16,19,27H,4-9,12,24H2,1-3H3;6-9,13-14,19,26H,2-5,10-12H2,1H3/t18-,22-;17-,21-;16-,20-;16-,19-;19-/m00000/s1
InChIKeyZFSAEBDFILGKNX-ZWKQXARKSA-N
XLogP14.26
TPSA603.63 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.45
LogP ≤ 514.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide with MolForge

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Related Compounds

5-(3-aminopyrrolidin-1-yl)-2-[(2S)-1-[5-chloro-2-(dimethylsulfamoylamino)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine
CID 139420417
N-[2-[(2S)-2-[6-[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 126537110
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
tert-butyl N-[1-[2-[(2S)-1-[2-(methanesulfonamido)-5-methylbenzoyl]piperidin-2-yl]-7-methylimidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 139420552
N-[2-[2-[7-(3-aminopyrrolidin-1-yl)-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 76668362
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56597828
N-[4-chloro-2-[2-[5-(4-hydroxypiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 76668414
N-[4-chloro-2-[2-[5-[(3R)-3-methoxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 131996366
N-[4-chloro-2-[(2S)-2-[5-[(3R)-3-ethynylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029422
N-[4-chloro-2-[2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]azepane-1-carbonyl]phenyl]methanesulfonamide
CID 58029805
N-[4-chloro-2-[(2S)-2-[5-(3-cyanopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 130205183
N-[2-[(2S)-2-[5-[(3S,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 131996113

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (CID 162107541) is N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CC[C@H](N)C3)ccc2n1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)s1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn3nc(N4CC[C@H](N)C4)c(C)cc3n2)c1.
What is the InChIKey of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The InChIKey is ZFSAEBDFILGKNX-ZWKQXARKSA-N. The full InChI is InChI=1S/C25H33N7O3S.C24H30ClN7O3S.C23H28ClN7O3S.C23H31N7O3S2.C22H25ClN6O3S/c1-16-7-8-20(29-36(3,34)35)19(12-16)25(33)31-10-5-4-6-22(31)21-15-32-23(27-21)13-17(2)24(28-32)30-11-9-18(26)14-30;1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-35(33,34)28-18-6-5-15(24)12-17(18)23(32)30-10-3-2-4-20(30)19-14-31-21(26-19)7-8-22(27-31)29-11-9-16(25)13-29;1-14-10-20-25-18(13-30(20)26-22(14)28-9-7-16(24)12-28)19-6-4-5-8-29(19)23(31)21-17(11-15(2)34-21)27-35(3,32)33;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27/h7-8,12-13,15,18,22,29H,4-6,9-11,14,26H2,1-3H3;6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;5-8,12,14,16,20,28H,2-4,9-11,13,25H2,1H3;10-11,13,16,19,27H,4-9,12,24H2,1-3H3;6-9,13-14,19,26H,2-5,10-12H2,1H3/t18-,22-;17-,21-;16-,20-;16-,19-;19-/m00000/s1.
What are the key properties of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide has a molecular weight of 2568.45 g/mol, XLogP of 14.26, 25 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 162107541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).