(2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate

C178H245F4N31O29 — CID 162239166

About (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate

(2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate (PubChem CID 162239166) has the molecular formula C178H245F4N31O29 and a molecular weight of 3359.10 g/mol. Its IUPAC name is (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate.

Molecular Properties

• Compound Name: (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate
• PubChem CID: 162239166
• Molecular Formula: C178H245F4N31O29
• Molecular Weight: 3359.10 g/mol
• Exact Mass: 3356.86
• IUPAC Name: (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate
• SMILES: CC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC1CCC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)CC1.CC(C)CCC[C@@H](C)[C@H]1CCC2C3CCC4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCNC(=O)Cn5cc(C(=O)N6CCN(C(=O)c7cn8nc(-c9ccc(F)cc9)cc(C(C)(C)C)c8n7)C(C)(C)C6)nn5)C(N)=O)CC[C@]4(C)C3CC[C@@]21C.CCCOCCOCCOCCOCCOCCNC(=O)Cn1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)nn1.COC(=O)C12CCC(C(=O)N3CCN(C(=O)c4cn5nc(-c6ccc(F)cc6)cc(C(C)(C)C)c5n4)C(C)(C)C3)(CC1)CC2
• InChI: InChI=1S/C66H96FN11O9.C41H58FN9O8.C37H49FN6O8.C34H42FN5O4/c1-41(2)12-11-13-42(3)48-20-21-49-47-19-16-44-34-46(22-25-65(44,9)50(47)23-26-66(48,49)10)87-58(81)36-53(59(68)82)70-56(79)24-30-85-32-33-86-31-27-69-57(80)39-76-37-55(72-74-76)61(83)75-28-29-77(64(7,8)40-75)62(84)54-38-78-60(71-54)51(63(4,5)6)35-52(73-78)43-14-17-45(67)18-15-43;1-7-15-55-17-19-57-21-23-59-24-22-58-20-18-56-16-12-43-36(52)28-49-26-35(45-47-49)38(53)48-13-14-50(41(5,6)29-48)39(54)34-27-51-37(44-34)32(40(2,3)4)25-33(46-51)30-8-10-31(42)11-9-30;1-20(45)28(46)29(47)30(48)31(49)33(50)39-24-13-9-22(10-14-24)34(51)42-15-16-43(37(5,6)19-42)35(52)27-18-44-32(40-27)25(36(2,3)4)17-26(41-44)21-7-11-23(38)12-8-21;1-31(2,3)24-19-25(22-7-9-23(35)10-8-22)37-40-20-26(36-27(24)40)28(41)39-18-17-38(21-32(39,4)5)29(42)33-11-14-34(15-12-33,16-13-33)30(43)44-6/h14-15,17-18,35,37-38,41-42,44,46-50,53H,11-13,16,19-34,36,39-40H2,1-10H3,(H2,68,82)(H,69,80)(H,70,79);8-11,25-27H,7,12-24,28-29H2,1-6H3,(H,43,52);7-8,11-12,17-18,22,24,28-31,46-49H,9-10,13-16,19H2,1-6H3,(H,39,50);7-10,19-20H,11-18,21H2,1-6H3/t42-,44?,46+,47?,48-,49?,50?,53+,65+,66-;;22?,24?,28-,29+,30+,31-;/m1.1./s1
• InChIKey: ZWLWBYVAJIDEOH-ZDQIBJNFSA-N
• XLogP: 19.16
• TPSA: 719.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 59
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3359.10
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate?

The IUPAC name of (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate (CID 162239166) is (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate.

What is the SMILES notation for (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate?

The canonical SMILES for (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate is CC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC1CCC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)CC1.CC(C)CCC[C@@H](C)[C@H]1CCC2C3CCC4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCNC(=O)Cn5cc(C(=O)N6CCN(C(=O)c7cn8nc(-c9ccc(F)cc9)cc(C(C)(C)C)c8n7)C(C)(C)C6)nn5)C(N)=O)CC[C@]4(C)C3CC[C@@]21C.CCCOCCOCCOCCOCCOCCNC(=O)Cn1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)nn1.COC(=O)C12CCC(C(=O)N3CCN(C(=O)c4cn5nc(-c6ccc(F)cc6)cc(C(C)(C)C)c5n4)C(C)(C)C3)(CC1)CC2.

What is the InChIKey of (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate?

The InChIKey is ZWLWBYVAJIDEOH-ZDQIBJNFSA-N. The full InChI is InChI=1S/C66H96FN11O9.C41H58FN9O8.C37H49FN6O8.C34H42FN5O4/c1-41(2)12-11-13-42(3)48-20-21-49-47-19-16-44-34-46(22-25-65(44,9)50(47)23-26-66(48,49)10)87-58(81)36-53(59(68)82)70-56(79)24-30-85-32-33-86-31-27-69-57(80)39-76-37-55(72-74-76)61(83)75-28-29-77(64(7,8)40-75)62(84)54-38-78-60(71-54)51(63(4,5)6)35-52(73-78)43-14-17-45(67)18-15-43;1-7-15-55-17-19-57-21-23-59-24-22-58-20-18-56-16-12-43-36(52)28-49-26-35(45-47-49)38(53)48-13-14-50(41(5,6)29-48)39(54)34-27-51-37(44-34)32(40(2,3)4)25-33(46-51)30-8-10-31(42)11-9-30;1-20(45)28(46)29(47)30(48)31(49)33(50)39-24-13-9-22(10-14-24)34(51)42-15-16-43(37(5,6)19-42)35(52)27-18-44-32(40-27)25(36(2,3)4)17-26(41-44)21-7-11-23(38)12-8-21;1-31(2,3)24-19-25(22-7-9-23(35)10-8-22)37-40-20-26(36-27(24)40)28(41)39-18-17-38(21-32(39,4)5)29(42)33-11-14-34(15-12-33,16-13-33)30(43)44-6/h14-15,17-18,35,37-38,41-42,44,46-50,53H,11-13,16,19-34,36,39-40H2,1-10H3,(H2,68,82)(H,69,80)(H,70,79);8-11,25-27H,7,12-24,28-29H2,1-6H3,(H,43,52);7-8,11-12,17-18,22,24,28-31,46-49H,9-10,13-16,19H2,1-6H3,(H,39,50);7-10,19-20H,11-18,21H2,1-6H3/t42-,44?,46+,47?,48-,49?,50?,53+,65+,66-;;22?,24?,28-,29+,30+,31-;/m1.1./s1.

What are the key properties of (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate?

(2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate has a molecular weight of 3359.10 g/mol, XLogP of 19.16, 59 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5S)-N-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexyl]-2,3,4,5-tetrahydroxy-6-oxoheptanamide;2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[[2-[4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]triazol-1-yl]acetyl]amino]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate;methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate is sourced from PubChem (CID 162239166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).