acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine

C140H161Cl4F13N34O19S — CID 159780037

IUPACacetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CCO.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.CS(=O)(=O)O.ClC(Cl)Cl.FC(F)Cn1cc(C2C=CNC(Cl)=N2)c2ccccc21
InChIInChI=1S/C29H32F3N7O2.C26H29F2N7O3.C26H31F2N7O.C21H16F3N5O3.C14H12ClF2N3.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.C2H6O.CHCl3.CH4O3S/c1-6-27(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;1-32(2)11-12-33(3)22-14-24(38-4)20(13-23(22)35(36)37)31-26-29-10-9-19(30-26)18-15-34(16-25(27)28)21-8-6-5-7-17(18)21;1-33(2)11-12-34(3)23-14-24(36-4)21(13-19(23)29)32-26-30-10-9-20(31-26)18-15-35(16-25(27)28)22-8-6-5-7-17(18)22;1-32-19-8-14(22)18(29(30)31)9-16(19)27-21-25-7-6-15(26-21)13-10-28(11-20(23)24)17-5-3-2-4-12(13)17;15-14-18-6-5-11(19-14)10-7-20(8-13(16)17)12-4-2-1-3-9(10)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;2*1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15,25H,11-12,16H2,1-4H3,(H,29,30,31);5-10,13-15,25H,11-12,16,29H2,1-4H3,(H,30,31,32);2-10,20H,11H2,1H3,(H,25,26,27);1-7,11,13H,8H2,(H,18,19);2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;3H,2H2,1H3;1H;1H3,(H,2,3,4)
InChIKeyGDNZHTBZVQLYOS-UHFFFAOYSA-N
MW3044.90 g/mol
LogP27.61
Rot. Bonds49

About acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine

acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 159780037) has the molecular formula C140H161Cl4F13N34O19S and a molecular weight of 3044.90 g/mol. Its IUPAC name is acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Nameacetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
PubChem CID159780037
Molecular FormulaC140H161Cl4F13N34O19S
Molecular Weight3044.90 g/mol
Exact Mass3041.09
IUPAC Nameacetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CCO.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.CS(=O)(=O)O.ClC(Cl)Cl.FC(F)Cn1cc(C2C=CNC(Cl)=N2)c2ccccc21
InChIInChI=1S/C29H32F3N7O2.C26H29F2N7O3.C26H31F2N7O.C21H16F3N5O3.C14H12ClF2N3.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.C2H6O.CHCl3.CH4O3S/c1-6-27(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;1-32(2)11-12-33(3)22-14-24(38-4)20(13-23(22)35(36)37)31-26-29-10-9-19(30-26)18-15-34(16-25(27)28)21-8-6-5-7-17(18)21;1-33(2)11-12-34(3)23-14-24(36-4)21(13-19(23)29)32-26-30-10-9-20(31-26)18-15-35(16-25(27)28)22-8-6-5-7-17(18)22;1-32-19-8-14(22)18(29(30)31)9-16(19)27-21-25-7-6-15(26-21)13-10-28(11-20(23)24)17-5-3-2-4-12(13)17;15-14-18-6-5-11(19-14)10-7-20(8-13(16)17)12-4-2-1-3-9(10)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;2*1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15,25H,11-12,16H2,1-4H3,(H,29,30,31);5-10,13-15,25H,11-12,16,29H2,1-4H3,(H,30,31,32);2-10,20H,11H2,1H3,(H,25,26,27);1-7,11,13H,8H2,(H,18,19);2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;3H,2H2,1H3;1H;1H3,(H,2,3,4)
InChIKeyGDNZHTBZVQLYOS-UHFFFAOYSA-N
XLogP27.61
TPSA633.46 Ų
H-Bond Donors11
H-Bond Acceptors48
Rotatable Bonds49
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003044.90
LogP ≤ 527.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (CID 159780037) is acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CCO.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)F)c3ccccc23)n1.CS(=O)(=O)O.ClC(Cl)Cl.FC(F)Cn1cc(C2C=CNC(Cl)=N2)c2ccccc21.
What is the InChIKey of acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is GDNZHTBZVQLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2.C26H29F2N7O3.C26H31F2N7O.C21H16F3N5O3.C14H12ClF2N3.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.C2H6O.CHCl3.CH4O3S/c1-6-27(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;1-32(2)11-12-33(3)22-14-24(38-4)20(13-23(22)35(36)37)31-26-29-10-9-19(30-26)18-15-34(16-25(27)28)21-8-6-5-7-17(18)21;1-33(2)11-12-34(3)23-14-24(36-4)21(13-19(23)29)32-26-30-10-9-20(31-26)18-15-35(16-25(27)28)22-8-6-5-7-17(18)22;1-32-19-8-14(22)18(29(30)31)9-16(19)27-21-25-7-6-15(26-21)13-10-28(11-20(23)24)17-5-3-2-4-12(13)17;15-14-18-6-5-11(19-14)10-7-20(8-13(16)17)12-4-2-1-3-9(10)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;2*1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15,25H,11-12,16H2,1-4H3,(H,29,30,31);5-10,13-15,25H,11-12,16,29H2,1-4H3,(H,30,31,32);2-10,20H,11H2,1H3,(H,25,26,27);1-7,11,13H,8H2,(H,18,19);2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;3H,2H2,1H3;1H;1H3,(H,2,3,4).
What are the key properties of acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 3044.90 g/mol, XLogP of 27.61, 49 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;3-(2-chloro-1,4-dihydropyrimidin-4-yl)-1-(2,2-difluoroethyl)indole;chloroform;4-[1-(2,2-difluoroethyl)indol-3-yl]-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;4-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-[1-(2,2-difluoroethyl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;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;ethanol;4-fluoro-2-methoxy-5-nitroaniline;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 159780037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).