5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C105H117Cl4F6N27O15 — CID 159595313

About 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 159595313) has the molecular formula C105H117Cl4F6N27O15 and a molecular weight of 2253.06 g/mol. Its IUPAC name is 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 159595313
• Molecular Formula: C105H117Cl4F6N27O15
• Molecular Weight: 2253.06 g/mol
• Exact Mass: 2249.79
• IUPAC Name: 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CC(C)[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)C1CCCN(C(=O)Nc2ccc3c(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(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCN(CC(F)F)CC3)cc12
• InChI: InChI=1S/C30H36ClFN8O4.C29H32ClF3N8O4.C24H27ClFN5O4.C22H22ClFN6O3/c1-37(2)21-6-4-12-38(15-21)30(44)35-19-8-11-24-22(13-19)28(29(33)43)36-40(24)17-26(42)39(20-9-10-20)16-25(41)34-14-18-5-3-7-23(31)27(18)32;30-21-3-1-2-17(26(21)33)13-35-24(42)15-40(19-5-6-19)25(43)16-41-22-7-4-18(12-20(22)27(37-41)28(34)44)36-29(45)39-10-8-38(9-11-39)14-23(31)32;1-14(2)19(13-32)30(11-20(33)28-10-15-6-5-8-17(25)22(15)26)21(34)12-31-18-9-4-3-7-16(18)23(29-31)24(27)35;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(25)8-15(17)21(28-30)22(26)33/h3,5,7-8,11,13,20-21H,4,6,9-10,12,14-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44);1-4,7,12,19,23H,5-6,8-11,13-16H2,(H2,34,44)(H,35,42)(H,36,45);3-9,14,19,32H,10-13H2,1-2H3,(H2,27,35)(H,28,33);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31)/t;;19-;/m..0./s1
• InChIKey: MKTLURVEYROARM-KJFDLJPKSA-N
• XLogP: 9.35
• TPSA: 558.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.06
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 159595313) is 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)C1CCCN(C(=O)Nc2ccc3c(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(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCN(CC(F)F)CC3)cc12.

What is the InChIKey of 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is MKTLURVEYROARM-KJFDLJPKSA-N. The full InChI is InChI=1S/C30H36ClFN8O4.C29H32ClF3N8O4.C24H27ClFN5O4.C22H22ClFN6O3/c1-37(2)21-6-4-12-38(15-21)30(44)35-19-8-11-24-22(13-19)28(29(33)43)36-40(24)17-26(42)39(20-9-10-20)16-25(41)34-14-18-5-3-7-23(31)27(18)32;30-21-3-1-2-17(26(21)33)13-35-24(42)15-40(19-5-6-19)25(43)16-41-22-7-4-18(12-20(22)27(37-41)28(34)44)36-29(45)39-10-8-38(9-11-39)14-23(31)32;1-14(2)19(13-32)30(11-20(33)28-10-15-6-5-8-17(25)22(15)26)21(34)12-31-18-9-4-3-7-16(18)23(29-31)24(27)35;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(25)8-15(17)21(28-30)22(26)33/h3,5,7-8,11,13,20-21H,4,6,9-10,12,14-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44);1-4,7,12,19,23H,5-6,8-11,13-16H2,(H2,34,44)(H,35,42)(H,36,45);3-9,14,19,32H,10-13H2,1-2H3,(H2,27,35)(H,28,33);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31)/t;;19-;/m..0./s1.

What are the key properties of 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?

5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2253.06 g/mol, XLogP of 9.35, 39 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-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-[[4-(2,2-difluoroethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 159595313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).