2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C191H201Cl6F7N38O26 — CID 161357047

IUPAC2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESC=Cc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cnc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC[C@@H](N)C3)cc12.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C30H34ClFN4O4.C30H36ClFN4O4.C29H30ClFN4O4.C28H32ClFN8O4.C27H25ClFN7O3.C24H22ClFN6O4.C23H22FN5O3/c1-18(37)29-23-13-19(12-22(38)14-30(2,3)4)8-11-25(23)36(34-29)17-27(40)35(21-9-10-21)16-26(39)33-15-20-6-5-7-24(31)28(20)32;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-17(36)29-23-13-19(12-22(37)11-18-5-6-18)7-10-25(23)35(33-29)16-27(39)34(21-8-9-21)15-26(38)32-14-20-3-2-4-24(30)28(20)31;29-21-5-1-3-16(25(21)30)12-33-23(39)14-37(19-7-8-19)24(40)15-38-22-9-6-18(11-20(22)26(35-38)27(32)41)34-28(42)36-10-2-4-17(31)13-36;1-16(37)21-12-35(23-11-32-24(7-20(21)23)34-18-9-30-15-31-10-18)14-26(39)36(19-5-6-19)13-25(38)33-8-17-3-2-4-22(28)27(17)29;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26;1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h5-8,11,13,21H,9-10,12,14-17H2,1-4H3,(H,33,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,18,21H,5-6,8-9,11-12,14-16H2,1H3,(H,32,38);1,3,5-6,9,11,17,19H,2,4,7-8,10,12-15,31H2,(H2,32,41)(H,33,39)(H,34,42);2-4,7,9-12,15,19H,5-6,8,13-14H2,1H3,(H,32,34)(H,33,38);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33);2-9,15H,1,10-13H2,(H2,25,32)(H,26,30)/t;;;17-;;;/m...1.../s1
InChIKeyVORLGFULGUJDMN-ZWIVHTSHSA-N
MW3790.65 g/mol
LogP25.37
Rot. Bonds71

About 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 161357047) has the molecular formula C191H201Cl6F7N38O26 and a molecular weight of 3790.65 g/mol. Its IUPAC name is 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID161357047
Molecular FormulaC191H201Cl6F7N38O26
Molecular Weight3790.65 g/mol
Exact Mass3785.36
IUPAC Name2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESC=Cc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cnc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC[C@@H](N)C3)cc12.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C30H34ClFN4O4.C30H36ClFN4O4.C29H30ClFN4O4.C28H32ClFN8O4.C27H25ClFN7O3.C24H22ClFN6O4.C23H22FN5O3/c1-18(37)29-23-13-19(12-22(38)14-30(2,3)4)8-11-25(23)36(34-29)17-27(40)35(21-9-10-21)16-26(39)33-15-20-6-5-7-24(31)28(20)32;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-17(36)29-23-13-19(12-22(37)11-18-5-6-18)7-10-25(23)35(33-29)16-27(39)34(21-8-9-21)15-26(38)32-14-20-3-2-4-24(30)28(20)31;29-21-5-1-3-16(25(21)30)12-33-23(39)14-37(19-7-8-19)24(40)15-38-22-9-6-18(11-20(22)26(35-38)27(32)41)34-28(42)36-10-2-4-17(31)13-36;1-16(37)21-12-35(23-11-32-24(7-20(21)23)34-18-9-30-15-31-10-18)14-26(39)36(19-5-6-19)13-25(38)33-8-17-3-2-4-22(28)27(17)29;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26;1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h5-8,11,13,21H,9-10,12,14-17H2,1-4H3,(H,33,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,18,21H,5-6,8-9,11-12,14-16H2,1H3,(H,32,38);1,3,5-6,9,11,17,19H,2,4,7-8,10,12-15,31H2,(H2,32,41)(H,33,39)(H,34,42);2-4,7,9-12,15,19H,5-6,8,13-14H2,1H3,(H,32,34)(H,33,38);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33);2-9,15H,1,10-13H2,(H2,25,32)(H,26,30)/t;;;17-;;;/m...1.../s1
InChIKeyVORLGFULGUJDMN-ZWIVHTSHSA-N
XLogP25.37
TPSA829.13 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds71
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003790.65
LogP ≤ 525.37
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 161357047) is 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is C=Cc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cnc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC[C@@H](N)C3)cc12.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.
What is the InChIKey of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is VORLGFULGUJDMN-ZWIVHTSHSA-N. The full InChI is InChI=1S/C30H34ClFN4O4.C30H36ClFN4O4.C29H30ClFN4O4.C28H32ClFN8O4.C27H25ClFN7O3.C24H22ClFN6O4.C23H22FN5O3/c1-18(37)29-23-13-19(12-22(38)14-30(2,3)4)8-11-25(23)36(34-29)17-27(40)35(21-9-10-21)16-26(39)33-15-20-6-5-7-24(31)28(20)32;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-17(36)29-23-13-19(12-22(37)11-18-5-6-18)7-10-25(23)35(33-29)16-27(39)34(21-8-9-21)15-26(38)32-14-20-3-2-4-24(30)28(20)31;29-21-5-1-3-16(25(21)30)12-33-23(39)14-37(19-7-8-19)24(40)15-38-22-9-6-18(11-20(22)26(35-38)27(32)41)34-28(42)36-10-2-4-17(31)13-36;1-16(37)21-12-35(23-11-32-24(7-20(21)23)34-18-9-30-15-31-10-18)14-26(39)36(19-5-6-19)13-25(38)33-8-17-3-2-4-22(28)27(17)29;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26;1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h5-8,11,13,21H,9-10,12,14-17H2,1-4H3,(H,33,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,18,21H,5-6,8-9,11-12,14-16H2,1H3,(H,32,38);1,3,5-6,9,11,17,19H,2,4,7-8,10,12-15,31H2,(H2,32,41)(H,33,39)(H,34,42);2-4,7,9-12,15,19H,5-6,8,13-14H2,1H3,(H,32,34)(H,33,38);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33);2-9,15H,1,10-13H2,(H2,25,32)(H,26,30)/t;;;17-;;;/m...1.../s1.
What are the key properties of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3790.65 g/mol, XLogP of 25.37, 71 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 161357047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).