1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid

C49H51Br2N17O7 — CID 160912938

About 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid

1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid (PubChem CID 160912938) has the molecular formula C49H51Br2N17O7 and a molecular weight of 1149.87 g/mol. Its IUPAC name is 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid
• PubChem CID: 160912938
• Molecular Formula: C49H51Br2N17O7
• Molecular Weight: 1149.87 g/mol
• Exact Mass: 1147.25
• IUPAC Name: 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid
• SMILES: CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.CC(C)NCC(=O)Cc1cccc(Br)n1.NC(=O)c1nn(CC(=O)O)c2ccc(Nc3cncnc3)cc12
• InChI: InChI=1S/C24H24BrN9O3.C14H12N6O3.C11H15BrN2O/c1-14(2)33(11-21(35)31-20-5-3-4-19(25)30-20)22(36)12-34-18-7-6-15(29-16-9-27-13-28-10-16)8-17(18)23(32-34)24(26)37;15-14(23)13-10-3-8(18-9-4-16-7-17-5-9)1-2-11(10)20(19-13)6-12(21)22;1-8(2)13-7-10(15)6-9-4-3-5-11(12)14-9/h3-10,13-14,29H,11-12H2,1-2H3,(H2,26,37)(H,30,31,35);1-5,7,18H,6H2,(H2,15,23)(H,21,22);3-5,8,13H,6-7H2,1-2H3
• InChIKey: SRAJSTZWDBRGMU-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 339.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1149.87
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid?

The IUPAC name of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid (CID 160912938) is 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid.

What is the SMILES notation for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid?

The canonical SMILES for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid is CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.CC(C)NCC(=O)Cc1cccc(Br)n1.NC(=O)c1nn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.

What is the InChIKey of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid?

The InChIKey is SRAJSTZWDBRGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN9O3.C14H12N6O3.C11H15BrN2O/c1-14(2)33(11-21(35)31-20-5-3-4-19(25)30-20)22(36)12-34-18-7-6-15(29-16-9-27-13-28-10-16)8-17(18)23(32-34)24(26)37;15-14(23)13-10-3-8(18-9-4-16-7-17-5-9)1-2-11(10)20(19-13)6-12(21)22;1-8(2)13-7-10(15)6-9-4-3-5-11(12)14-9/h3-10,13-14,29H,11-12H2,1-2H3,(H2,26,37)(H,30,31,35);1-5,7,18H,6H2,(H2,15,23)(H,21,22);3-5,8,13H,6-7H2,1-2H3.

What are the key properties of 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid?

1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid has a molecular weight of 1149.87 g/mol, XLogP of 5.41, 19 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid is sourced from PubChem (CID 160912938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).