1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide

C102H98Br2Cl3F3N26O15 — CID 160632891

IUPAC1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)NCC(=O)CCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C22H21ClFN5O3.C22H23ClFN5O3.C20H19BrN6O3.C20H18ClFN4O3.C18H17BrN6O3/c23-16-6-3-4-13(20(16)24)10-26-18(30)11-28(14-8-9-14)19(31)12-29-17-7-2-1-5-15(17)21(27-29)22(25)32;1-13(2)28(11-18(30)26-10-14-6-5-8-16(23)20(14)24)19(31)12-29-17-9-4-3-7-15(17)21(27-29)22(25)32;21-15-6-3-7-16(23-15)24-17(28)10-26(12-8-9-12)18(29)11-27-14-5-2-1-4-13(14)19(25-27)20(22)30;21-15-6-3-4-12(18(15)22)8-9-13(27)10-24-17(28)11-26-16-7-2-1-5-14(16)19(25-26)20(23)29;1-24(9-15(26)22-14-8-4-7-13(19)21-14)16(27)10-25-12-6-3-2-5-11(12)17(23-25)18(20)28/h1-7,14H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,25,32)(H,26,30);1-7,12H,8-11H2,(H2,22,30)(H,23,24,28);1-7H,8-11H2,(H2,23,29)(H,24,28);2-8H,9-10H2,1H3,(H2,20,28)(H,21,22,26)
InChIKeyRIDOTABNGDKSDA-UHFFFAOYSA-N
MW2251.23 g/mol
LogP10.27
Rot. Bonds37

About 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 160632891) has the molecular formula C102H98Br2Cl3F3N26O15 and a molecular weight of 2251.23 g/mol. Its IUPAC name is 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID160632891
Molecular FormulaC102H98Br2Cl3F3N26O15
Molecular Weight2251.23 g/mol
Exact Mass2246.51
IUPAC Name1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)NCC(=O)CCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C22H21ClFN5O3.C22H23ClFN5O3.C20H19BrN6O3.C20H18ClFN4O3.C18H17BrN6O3/c23-16-6-3-4-13(20(16)24)10-26-18(30)11-28(14-8-9-14)19(31)12-29-17-7-2-1-5-15(17)21(27-29)22(25)32;1-13(2)28(11-18(30)26-10-14-6-5-8-16(23)20(14)24)19(31)12-29-17-9-4-3-7-15(17)21(27-29)22(25)32;21-15-6-3-7-16(23-15)24-17(28)10-26(12-8-9-12)18(29)11-27-14-5-2-1-4-13(14)19(25-27)20(22)30;21-15-6-3-4-12(18(15)22)8-9-13(27)10-24-17(28)11-26-16-7-2-1-5-14(16)19(25-26)20(23)29;1-24(9-15(26)22-14-8-4-7-13(19)21-14)16(27)10-25-12-6-3-2-5-11(12)17(23-25)18(20)28/h1-7,14H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,25,32)(H,26,30);1-7,12H,8-11H2,(H2,22,30)(H,23,24,28);1-7H,8-11H2,(H2,23,29)(H,24,28);2-8H,9-10H2,1H3,(H2,20,28)(H,21,22,26)
InChIKeyRIDOTABNGDKSDA-UHFFFAOYSA-N
XLogP10.27
TPSA574.14 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002251.23
LogP ≤ 510.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 160632891) is 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)NCC(=O)CCc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is RIDOTABNGDKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O3.C22H23ClFN5O3.C20H19BrN6O3.C20H18ClFN4O3.C18H17BrN6O3/c23-16-6-3-4-13(20(16)24)10-26-18(30)11-28(14-8-9-14)19(31)12-29-17-7-2-1-5-15(17)21(27-29)22(25)32;1-13(2)28(11-18(30)26-10-14-6-5-8-16(23)20(14)24)19(31)12-29-17-9-4-3-7-15(17)21(27-29)22(25)32;21-15-6-3-7-16(23-15)24-17(28)10-26(12-8-9-12)18(29)11-27-14-5-2-1-4-13(14)19(25-27)20(22)30;21-15-6-3-4-12(18(15)22)8-9-13(27)10-24-17(28)11-26-16-7-2-1-5-14(16)19(25-26)20(23)29;1-24(9-15(26)22-14-8-4-7-13(19)21-14)16(27)10-25-12-6-3-2-5-11(12)17(23-25)18(20)28/h1-7,14H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,25,32)(H,26,30);1-7,12H,8-11H2,(H2,22,30)(H,23,24,28);1-7H,8-11H2,(H2,23,29)(H,24,28);2-8H,9-10H2,1H3,(H2,20,28)(H,21,22,26).
What are the key properties of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2251.23 g/mol, XLogP of 10.27, 37 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;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]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 160632891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).