1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide

C114H115Cl5F7N25O16 — CID 162178502

About 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 162178502) has the molecular formula C114H115Cl5F7N25O16 and a molecular weight of 2401.58 g/mol. Its IUPAC name is 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 162178502
• Molecular Formula: C114H115Cl5F7N25O16
• Molecular Weight: 2401.58 g/mol
• Exact Mass: 2397.73
• IUPAC Name: 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@@H](C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2COC2)c2ccccc12
• InChI: InChI=1S/C23H21ClF3N5O3.C23H23ClFN5O3.2C23H25ClFN5O3.C22H21ClFN5O4/c24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;2*1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;23-16-6-3-4-13(20(16)24)8-26-18(30)9-28(14-11-33-12-14)19(31)10-29-17-7-2-1-5-15(17)21(27-29)22(25)32/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2*4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);1-7,14H,8-12H2,(H2,25,32)(H,26,30)/t;;14-;;/m..1../s1
• InChIKey: ZOSBRWDTHYBSDW-ZOCYYSMUSA-N
• XLogP: 12.71
• TPSA: 560.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.58
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 162178502) is 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide is CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@@H](C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2COC2)c2ccccc12.

What is the InChIKey of 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is ZOSBRWDTHYBSDW-ZOCYYSMUSA-N. The full InChI is InChI=1S/C23H21ClF3N5O3.C23H23ClFN5O3.2C23H25ClFN5O3.C22H21ClFN5O4/c24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;2*1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;23-16-6-3-4-13(20(16)24)8-26-18(30)9-28(14-11-33-12-14)19(31)10-29-17-7-2-1-5-15(17)21(27-29)22(25)32/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2*4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);1-7,14H,8-12H2,(H2,25,32)(H,26,30)/t;;14-;;/m..1../s1.

What are the key properties of 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2401.58 g/mol, XLogP of 12.71, 42 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 162178502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).