2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C150H174Cl5F5N32O18 — CID 158275547

IUPAC2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N3CCC[C@H](N)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N(CC3CC3)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NCC3CCCCC3)cc12
InChIInChI=1S/C32H38ClFN6O4.C30H35ClFN7O4.C30H34ClFN6O3.C29H33ClFN7O4.C29H34ClFN6O3/c1-20(41)32-25-15-21(16-29(43)38(3)23-11-13-37(2)14-12-23)7-10-27(25)40(36-32)19-30(44)39(24-8-9-24)18-28(42)35-17-22-5-4-6-26(33)31(22)34;1-36-11-10-21(15-36)37(2)26(41)13-18-6-9-24-22(12-18)29(30(33)43)35-39(24)17-27(42)38(20-7-8-20)16-25(40)34-14-19-4-3-5-23(31)28(19)32;31-24-3-1-2-20(28(24)32)13-34-26(39)16-37(21-8-9-21)27(40)17-38-25-11-10-22(12-23(25)29(35-38)30(33)41)36(14-18-4-5-18)15-19-6-7-19;30-22-5-1-3-18(27(22)31)13-34-24(39)15-37(20-7-8-20)26(41)16-38-23-9-6-17(11-21(23)28(35-38)29(33)42)12-25(40)36-10-2-4-19(32)14-36;30-23-8-4-7-19(27(23)31)15-34-25(38)16-36(21-10-11-21)26(39)17-37-24-12-9-20(13-22(24)28(35-37)29(32)40)33-14-18-5-2-1-3-6-18/h4-7,10,15,23-24H,8-9,11-14,16-19H2,1-3H3,(H,35,42);3-6,9,12,20-21H,7-8,10-11,13-17H2,1-2H3,(H2,33,43)(H,34,40);1-3,10-12,18-19,21H,4-9,13-17H2,(H2,33,41)(H,34,39);1,3,5-6,9,11,19-20H,2,4,7-8,10,12-16,32H2,(H2,33,42)(H,34,39);4,7-9,12-13,18,21,33H,1-3,5-6,10-11,14-17H2,(H2,32,40)(H,34,38)/t;21-;;19-;/m.0.0./s1
InChIKeyGJOGRUDEMSWPFK-WXAZHLFLSA-N
MW2985.50 g/mol
LogP15.19
Rot. Bonds56

About 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide

2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158275547) has the molecular formula C150H174Cl5F5N32O18 and a molecular weight of 2985.50 g/mol. Its IUPAC name is 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID158275547
Molecular FormulaC150H174Cl5F5N32O18
Molecular Weight2985.50 g/mol
Exact Mass2981.20
IUPAC Name2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N3CCC[C@H](N)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N(CC3CC3)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NCC3CCCCC3)cc12
InChIInChI=1S/C32H38ClFN6O4.C30H35ClFN7O4.C30H34ClFN6O3.C29H33ClFN7O4.C29H34ClFN6O3/c1-20(41)32-25-15-21(16-29(43)38(3)23-11-13-37(2)14-12-23)7-10-27(25)40(36-32)19-30(44)39(24-8-9-24)18-28(42)35-17-22-5-4-6-26(33)31(22)34;1-36-11-10-21(15-36)37(2)26(41)13-18-6-9-24-22(12-18)29(30(33)43)35-39(24)17-27(42)38(20-7-8-20)16-25(40)34-14-19-4-3-5-23(31)28(19)32;31-24-3-1-2-20(28(24)32)13-34-26(39)16-37(21-8-9-21)27(40)17-38-25-11-10-22(12-23(25)29(35-38)30(33)41)36(14-18-4-5-18)15-19-6-7-19;30-22-5-1-3-18(27(22)31)13-34-24(39)15-37(20-7-8-20)26(41)16-38-23-9-6-17(11-21(23)28(35-38)29(33)42)12-25(40)36-10-2-4-19(32)14-36;30-23-8-4-7-19(27(23)31)15-34-25(38)16-36(21-10-11-21)26(39)17-37-24-12-9-20(13-22(24)28(35-37)29(32)40)33-14-18-5-2-1-3-6-18/h4-7,10,15,23-24H,8-9,11-14,16-19H2,1-3H3,(H,35,42);3-6,9,12,20-21H,7-8,10-11,13-17H2,1-2H3,(H2,33,43)(H,34,40);1-3,10-12,18-19,21H,4-9,13-17H2,(H2,33,41)(H,34,39);1,3,5-6,9,11,19-20H,2,4,7-8,10,12-16,32H2,(H2,33,42)(H,34,39);4,7-9,12-13,18,21,33H,1-3,5-6,10-11,14-17H2,(H2,32,40)(H,34,38)/t;21-;;19-;/m.0.0./s1
InChIKeyGJOGRUDEMSWPFK-WXAZHLFLSA-N
XLogP15.19
TPSA634.28 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002985.50
LogP ≤ 515.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 158275547) is 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)N3CCC[C@H](N)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N(CC3CC3)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NCC3CCCCC3)cc12.
What is the InChIKey of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is GJOGRUDEMSWPFK-WXAZHLFLSA-N. The full InChI is InChI=1S/C32H38ClFN6O4.C30H35ClFN7O4.C30H34ClFN6O3.C29H33ClFN7O4.C29H34ClFN6O3/c1-20(41)32-25-15-21(16-29(43)38(3)23-11-13-37(2)14-12-23)7-10-27(25)40(36-32)19-30(44)39(24-8-9-24)18-28(42)35-17-22-5-4-6-26(33)31(22)34;1-36-11-10-21(15-36)37(2)26(41)13-18-6-9-24-22(12-18)29(30(33)43)35-39(24)17-27(42)38(20-7-8-20)16-25(40)34-14-19-4-3-5-23(31)28(19)32;31-24-3-1-2-20(28(24)32)13-34-26(39)16-37(21-8-9-21)27(40)17-38-25-11-10-22(12-23(25)29(35-38)30(33)41)36(14-18-4-5-18)15-19-6-7-19;30-22-5-1-3-18(27(22)31)13-34-24(39)15-37(20-7-8-20)26(41)16-38-23-9-6-17(11-21(23)28(35-38)29(33)42)12-25(40)36-10-2-4-19(32)14-36;30-23-8-4-7-19(27(23)31)15-34-25(38)16-36(21-10-11-21)26(39)17-37-24-12-9-20(13-22(24)28(35-37)29(32)40)33-14-18-5-2-1-3-6-18/h4-7,10,15,23-24H,8-9,11-14,16-19H2,1-3H3,(H,35,42);3-6,9,12,20-21H,7-8,10-11,13-17H2,1-2H3,(H2,33,43)(H,34,40);1-3,10-12,18-19,21H,4-9,13-17H2,(H2,33,41)(H,34,39);1,3,5-6,9,11,19-20H,2,4,7-8,10,12-16,32H2,(H2,33,42)(H,34,39);4,7-9,12-13,18,21,33H,1-3,5-6,10-11,14-17H2,(H2,32,40)(H,34,38)/t;21-;;19-;/m.0.0./s1.
What are the key properties of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2985.50 g/mol, XLogP of 15.19, 56 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-[bis(cyclopropylmethyl)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]-5-(cyclohexylmethylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158275547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).