dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate

C88H88Cl3F2K2N21O15 — CID 158826563

About dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate

dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate (PubChem CID 158826563) has the molecular formula C88H88Cl3F2K2N21O15 and a molecular weight of 1902.35 g/mol. Its IUPAC name is dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate.

Molecular Properties

• Compound Name: dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate
• PubChem CID: 158826563
• Molecular Formula: C88H88Cl3F2K2N21O15
• Molecular Weight: 1902.35 g/mol
• Exact Mass: 1899.51
• IUPAC Name: dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate
• SMILES: CC(=O)OCc1c(-c2cnnc(Nc3ccc(C(=O)N4CCOCC4)cn3)c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cnnc(Nc5ccc(C(=O)N6CCOCC6)cn5)c4)c3CO)ncc2c1.CO.Clc1cnnc(Cl)c1.O=C(c1ccc(Nc2cc(Cl)cnn2)nc1)N1CCOCC1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C35H34FN7O5.C33H32FN7O4.C14H14ClN5O2.C4H2Cl2N2.CH2O3.CH4O.2K.H/c1-21(44)48-20-27-26(6-5-7-29(27)43-34(46)32-24(19-39-43)14-25(16-28(32)36)35(2,3)4)23-15-31(41-38-18-23)40-30-9-8-22(17-37-30)33(45)42-10-12-47-13-11-42;1-33(2,3)23-13-22-18-37-41(32(44)30(22)26(34)15-23)27-6-4-5-24(25(27)19-42)21-14-29(39-36-17-21)38-28-8-7-20(16-35-28)31(43)40-9-11-45-12-10-40;15-11-7-13(19-17-9-11)18-12-2-1-10(8-16-12)14(21)20-3-5-22-6-4-20;5-3-1-4(6)8-7-2-3;2-1-4-3;1-2;;;/h5-9,14-19H,10-13,20H2,1-4H3,(H,37,40,41);4-8,13-18,42H,9-12,19H2,1-3H3,(H,35,38,39);1-2,7-9H,3-6H2,(H,16,18,19);1-2H;1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: YTLJFMGLMGJVNI-UHFFFAOYSA-M
• XLogP: 5.02
• TPSA: 452.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.35
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate?

The IUPAC name of dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate (CID 158826563) is dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate.

What is the SMILES notation for dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate?

The canonical SMILES for dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate is CC(=O)OCc1c(-c2cnnc(Nc3ccc(C(=O)N4CCOCC4)cn3)c2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cnnc(Nc5ccc(C(=O)N6CCOCC6)cn5)c4)c3CO)ncc2c1.CO.Clc1cnnc(Cl)c1.O=C(c1ccc(Nc2cc(Cl)cnn2)nc1)N1CCOCC1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate?

The InChIKey is YTLJFMGLMGJVNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H34FN7O5.C33H32FN7O4.C14H14ClN5O2.C4H2Cl2N2.CH2O3.CH4O.2K.H/c1-21(44)48-20-27-26(6-5-7-29(27)43-34(46)32-24(19-39-43)14-25(16-28(32)36)35(2,3)4)23-15-31(41-38-18-23)40-30-9-8-22(17-37-30)33(45)42-10-12-47-13-11-42;1-33(2,3)23-13-22-18-37-41(32(44)30(22)26(34)15-23)27-6-4-5-24(25(27)19-42)21-14-29(39-36-17-21)38-28-8-7-20(16-35-28)31(43)40-9-11-45-12-10-40;15-11-7-13(19-17-9-11)18-12-2-1-10(8-16-12)14(21)20-3-5-22-6-4-20;5-3-1-4(6)8-7-2-3;2-1-4-3;1-2;;;/h5-9,14-19H,10-13,20H2,1-4H3,(H,37,40,41);4-8,13-18,42H,9-12,19H2,1-3H3,(H,35,38,39);1-2,7-9H,3-6H2,(H,16,18,19);1-2H;1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate?

dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate has a molecular weight of 1902.35 g/mol, XLogP of 5.02, 17 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]phthalazin-1-one;[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[6-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-4-yl]phenyl]methyl acetate;[6-[(5-chloropyridazin-3-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloropyridazine;hydride;methanol;oxido formate is sourced from PubChem (CID 158826563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).