potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide

C95H116Cl3F9KN21O9 — CID 158684275

About potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide

potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide (PubChem CID 158684275) has the molecular formula C95H116Cl3F9KN21O9 and a molecular weight of 2012.55 g/mol. Its IUPAC name is potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide.

Molecular Properties

• Compound Name: potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide
• PubChem CID: 158684275
• Molecular Formula: C95H116Cl3F9KN21O9
• Molecular Weight: 2012.55 g/mol
• Exact Mass: 2009.78
• IUPAC Name: potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide
• SMILES: C1CCOC1.C1CCOC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(NC(=O)CCCl)cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.O=C(Cl)CCCl.[K+].[OH-]
• InChI: InChI=1S/C29H33ClF3N7O2.C29H32F3N7O2.C26H30F3N7O.2C4H8O.C3H4Cl2O.K.H2O/c1-38(2)13-14-39(3)25-16-26(42-4)23(15-22(25)35-27(41)9-11-30)37-28-34-12-10-21(36-28)20-17-40(18-29(31,32)33)24-8-6-5-7-19(20)24;1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24;1-34(2)11-12-35(3)23-14-24(37-4)21(13-19(23)30)33-25-31-10-9-20(32-25)18-15-36(16-26(27,28)29)22-8-6-5-7-17(18)22;2*1-2-4-5-3-1;4-2-1-3(5)6;;/h5-8,10,12,15-17H,9,11,13-14,18H2,1-4H3,(H,35,41)(H,34,36,37);6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15H,11-12,16,30H2,1-4H3,(H,31,32,33);2*1-4H2;1-2H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: IFNLUMMOCLKPLU-UHFFFAOYSA-M
• XLogP: 16.31
• TPSA: 325.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.55
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide?

The IUPAC name of potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide (CID 158684275) is potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide.

What is the SMILES notation for potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide?

The canonical SMILES for potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide is C1CCOC1.C1CCOC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(NC(=O)CCCl)cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.O=C(Cl)CCCl.[K+].[OH-].

What is the InChIKey of potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide?

The InChIKey is IFNLUMMOCLKPLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H33ClF3N7O2.C29H32F3N7O2.C26H30F3N7O.2C4H8O.C3H4Cl2O.K.H2O/c1-38(2)13-14-39(3)25-16-26(42-4)23(15-22(25)35-27(41)9-11-30)37-28-34-12-10-21(36-28)20-17-40(18-29(31,32)33)24-8-6-5-7-19(20)24;1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24;1-34(2)11-12-35(3)23-14-24(37-4)21(13-19(23)30)33-25-31-10-9-20(32-25)18-15-36(16-26(27,28)29)22-8-6-5-7-17(18)22;2*1-2-4-5-3-1;4-2-1-3(5)6;;/h5-8,10,12,15-17H,9,11,13-14,18H2,1-4H3,(H,35,41)(H,34,36,37);6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15H,11-12,16,30H2,1-4H3,(H,31,32,33);2*1-4H2;1-2H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide?

potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide has a molecular weight of 2012.55 g/mol, XLogP of 16.31, 34 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]propanamide;3-chloropropanoyl chloride;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxolane;hydroxide is sourced from PubChem (CID 158684275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).