1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide

C116H120BrCl3F4N26O15 — CID 161205485

IUPAC1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cccc(CNC(=O)CN(CCC(C)C)C(=O)Cn2nc(C(N)=O)c3ccccc32)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23ClFN5O3.C25H30FN5O3.C23H23ClFN5O3.C22H23ClFN5O3.C20H21BrN6O3/c27-20-11-6-9-18(24(20)28)13-30-22(34)15-32(14-17-7-2-1-3-8-17)23(35)16-33-21-12-5-4-10-19(21)25(31-33)26(29)36;1-16(2)11-12-30(14-21(32)28-13-18-8-6-7-17(3)23(18)26)22(33)15-31-20-10-5-4-9-19(20)24(29-31)25(27)34;24-17-6-3-4-15(21(17)25)10-27-19(31)12-29(11-14-8-9-14)20(32)13-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-2-10-28(12-18(30)26-11-14-6-5-8-16(23)20(14)24)19(31)13-29-17-9-4-3-7-15(17)21(27-29)22(25)32;1-12(2)26(10-17(28)24-16-9-5-8-15(21)23-16)18(29)11-27-14-7-4-3-6-13(14)19(25-27)20(22)30/h1-12H,13-16H2,(H2,29,36)(H,30,34);4-10,16H,11-15H2,1-3H3,(H2,27,34)(H,28,32);1-7,14H,8-13H2,(H2,26,33)(H,27,31);3-9H,2,10-13H2,1H3,(H2,25,32)(H,26,30);3-9,12H,10-11H2,1-2H3,(H2,22,30)(H,23,24,28)
InChIKeyUVNRJDPZNOLURE-UHFFFAOYSA-N
MW2380.66 g/mol
LogP13.18
Rot. Bonds44

About 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 161205485) has the molecular formula C116H120BrCl3F4N26O15 and a molecular weight of 2380.66 g/mol. Its IUPAC name is 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID161205485
Molecular FormulaC116H120BrCl3F4N26O15
Molecular Weight2380.66 g/mol
Exact Mass2376.76
IUPAC Name1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cccc(CNC(=O)CN(CCC(C)C)C(=O)Cn2nc(C(N)=O)c3ccccc32)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23ClFN5O3.C25H30FN5O3.C23H23ClFN5O3.C22H23ClFN5O3.C20H21BrN6O3/c27-20-11-6-9-18(24(20)28)13-30-22(34)15-32(14-17-7-2-1-3-8-17)23(35)16-33-21-12-5-4-10-19(21)25(31-33)26(29)36;1-16(2)11-12-30(14-21(32)28-13-18-8-6-7-17(3)23(18)26)22(33)15-31-20-10-5-4-9-19(20)24(29-31)25(27)34;24-17-6-3-4-15(21(17)25)10-27-19(31)12-29(11-14-8-9-14)20(32)13-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-2-10-28(12-18(30)26-11-14-6-5-8-16(23)20(14)24)19(31)13-29-17-9-4-3-7-15(17)21(27-29)22(25)32;1-12(2)26(10-17(28)24-16-9-5-8-15(21)23-16)18(29)11-27-14-7-4-3-6-13(14)19(25-27)20(22)30/h1-12H,13-16H2,(H2,29,36)(H,30,34);4-10,16H,11-15H2,1-3H3,(H2,27,34)(H,28,32);1-7,14H,8-13H2,(H2,26,33)(H,27,31);3-9H,2,10-13H2,1H3,(H2,25,32)(H,26,30);3-9,12H,10-11H2,1-2H3,(H2,22,30)(H,23,24,28)
InChIKeyUVNRJDPZNOLURE-UHFFFAOYSA-N
XLogP13.18
TPSA564.49 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002380.66
LogP ≤ 513.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 161205485) is 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cccc(CNC(=O)CN(CCC(C)C)C(=O)Cn2nc(C(N)=O)c3ccccc32)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is UVNRJDPZNOLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O3.C25H30FN5O3.C23H23ClFN5O3.C22H23ClFN5O3.C20H21BrN6O3/c27-20-11-6-9-18(24(20)28)13-30-22(34)15-32(14-17-7-2-1-3-8-17)23(35)16-33-21-12-5-4-10-19(21)25(31-33)26(29)36;1-16(2)11-12-30(14-21(32)28-13-18-8-6-7-17(3)23(18)26)22(33)15-31-20-10-5-4-9-19(20)24(29-31)25(27)34;24-17-6-3-4-15(21(17)25)10-27-19(31)12-29(11-14-8-9-14)20(32)13-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-2-10-28(12-18(30)26-11-14-6-5-8-16(23)20(14)24)19(31)13-29-17-9-4-3-7-15(17)21(27-29)22(25)32;1-12(2)26(10-17(28)24-16-9-5-8-15(21)23-16)18(29)11-27-14-7-4-3-6-13(14)19(25-27)20(22)30/h1-12H,13-16H2,(H2,29,36)(H,30,34);4-10,16H,11-15H2,1-3H3,(H2,27,34)(H,28,32);1-7,14H,8-13H2,(H2,26,33)(H,27,31);3-9H,2,10-13H2,1H3,(H2,25,32)(H,26,30);3-9,12H,10-11H2,1-2H3,(H2,22,30)(H,23,24,28).
What are the key properties of 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2380.66 g/mol, XLogP of 13.18, 44 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclopropylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 161205485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).