N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

C150H173ClN42O12 — CID 158401913

IUPACN-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1ccnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)n1.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1nc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)ncc1Cl
InChIInChI=1S/C31H38N8O3.C30H32ClN9O2.C30H33N9O2.C30H36N8O3.C29H34N8O2/c1-8-28(40)33-23-16-24(27(42-7)17-26(23)38(5)14-13-37(3)4)35-31-32-18-19(2)29(36-31)39-25-12-11-21(41-6)15-22(25)34-30(39)20-9-10-20;1-7-27(41)34-22-15-23(26(42-6)16-25(22)39(5)13-12-38(3)4)36-30-33-17-20(31)29(37-30)40-24-11-10-19(32-2)14-21(24)35-28(40)18-8-9-18;1-7-28(40)33-22-17-23(26(41-6)18-25(22)38(5)15-14-37(3)4)35-30-32-13-12-27(36-30)39-24-11-10-20(31-2)16-21(24)34-29(39)19-8-9-19;1-7-28(39)32-22-17-23(26(41-6)18-25(22)37(4)15-14-36(2)3)34-30-31-13-12-27(35-30)38-24-11-10-20(40-5)16-21(24)33-29(38)19-8-9-19;1-6-27(38)31-21-17-22(25(39-5)18-24(21)36(4)16-15-35(2)3)33-29-30-14-13-26(34-29)37-23-10-8-7-9-20(23)32-28(37)19-11-12-19/h8,11-12,15-18,20H,1,9-10,13-14H2,2-7H3,(H,33,40)(H,32,35,36);7,10-11,14-18H,1,8-9,12-13H2,3-6H3,(H,34,41)(H,33,36,37);7,10-13,16-19H,1,8-9,14-15H2,3-6H3,(H,33,40)(H,32,35,36);7,10-13,16-19H,1,8-9,14-15H2,2-6H3,(H,32,39)(H,31,34,35);6-10,13-14,17-19H,1,11-12,15-16H2,2-5H3,(H,31,38)(H,30,33,34)
InChIKeyGYEYTKBVQULYCX-UHFFFAOYSA-N
MW2791.77 g/mol
LogP24.92
Rot. Bonds57

About N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide (PubChem CID 158401913) has the molecular formula C150H173ClN42O12 and a molecular weight of 2791.77 g/mol. Its IUPAC name is N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
PubChem CID158401913
Molecular FormulaC150H173ClN42O12
Molecular Weight2791.77 g/mol
Exact Mass2789.39
IUPAC NameN-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C)c(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1ccnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)n1.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1nc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)ncc1Cl
InChIInChI=1S/C31H38N8O3.C30H32ClN9O2.C30H33N9O2.C30H36N8O3.C29H34N8O2/c1-8-28(40)33-23-16-24(27(42-7)17-26(23)38(5)14-13-37(3)4)35-31-32-18-19(2)29(36-31)39-25-12-11-21(41-6)15-22(25)34-30(39)20-9-10-20;1-7-27(41)34-22-15-23(26(42-6)16-25(22)39(5)13-12-38(3)4)36-30-33-17-20(31)29(37-30)40-24-11-10-19(32-2)14-21(24)35-28(40)18-8-9-18;1-7-28(40)33-22-17-23(26(41-6)18-25(22)38(5)15-14-37(3)4)35-30-32-13-12-27(36-30)39-24-11-10-20(31-2)16-21(24)34-29(39)19-8-9-19;1-7-28(39)32-22-17-23(26(41-6)18-25(22)37(4)15-14-36(2)3)34-30-31-13-12-27(35-30)38-24-11-10-20(40-5)16-21(24)33-29(38)19-8-9-19;1-6-27(38)31-21-17-22(25(39-5)18-24(21)36(4)16-15-35(2)3)33-29-30-14-13-26(34-29)37-23-10-8-7-9-20(23)32-28(37)19-11-12-19/h8,11-12,15-18,20H,1,9-10,13-14H2,2-7H3,(H,33,40)(H,32,35,36);7,10-11,14-18H,1,8-9,12-13H2,3-6H3,(H,34,41)(H,33,36,37);7,10-13,16-19H,1,8-9,14-15H2,3-6H3,(H,33,40)(H,32,35,36);7,10-13,16-19H,1,8-9,14-15H2,2-6H3,(H,32,39)(H,31,34,35);6-10,13-14,17-19H,1,11-12,15-16H2,2-5H3,(H,31,38)(H,30,33,34)
InChIKeyGYEYTKBVQULYCX-UHFFFAOYSA-N
XLogP24.92
TPSA529.38 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds57
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.77
LogP ≤ 524.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide (CID 158401913) is N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(C)c(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(C4CC4)nc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1ccnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)n1.[C-]#[N+]c1ccc2c(c1)nc(C1CC1)n2-c1nc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)ncc1Cl.
What is the InChIKey of N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is GYEYTKBVQULYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O3.C30H32ClN9O2.C30H33N9O2.C30H36N8O3.C29H34N8O2/c1-8-28(40)33-23-16-24(27(42-7)17-26(23)38(5)14-13-37(3)4)35-31-32-18-19(2)29(36-31)39-25-12-11-21(41-6)15-22(25)34-30(39)20-9-10-20;1-7-27(41)34-22-15-23(26(42-6)16-25(22)39(5)13-12-38(3)4)36-30-33-17-20(31)29(37-30)40-24-11-10-19(32-2)14-21(24)35-28(40)18-8-9-18;1-7-28(40)33-22-17-23(26(41-6)18-25(22)38(5)15-14-37(3)4)35-30-32-13-12-27(36-30)39-24-11-10-20(31-2)16-21(24)34-29(39)19-8-9-19;1-7-28(39)32-22-17-23(26(41-6)18-25(22)37(4)15-14-36(2)3)34-30-31-13-12-27(35-30)38-24-11-10-20(40-5)16-21(24)33-29(38)19-8-9-19;1-6-27(38)31-21-17-22(25(39-5)18-24(21)36(4)16-15-35(2)3)33-29-30-14-13-26(34-29)37-23-10-8-7-9-20(23)32-28(37)19-11-12-19/h8,11-12,15-18,20H,1,9-10,13-14H2,2-7H3,(H,33,40)(H,32,35,36);7,10-11,14-18H,1,8-9,12-13H2,3-6H3,(H,34,41)(H,33,36,37);7,10-13,16-19H,1,8-9,14-15H2,3-6H3,(H,33,40)(H,32,35,36);7,10-13,16-19H,1,8-9,14-15H2,2-6H3,(H,32,39)(H,31,34,35);6-10,13-14,17-19H,1,11-12,15-16H2,2-5H3,(H,31,38)(H,30,33,34).
What are the key properties of N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 2791.77 g/mol, XLogP of 24.92, 57 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-isocyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(2-cyclopropyl-5-methoxybenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 158401913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).