6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine

C56H56Br2ClN15O7S — CID 159487755

About 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine

6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine (PubChem CID 159487755) has the molecular formula C56H56Br2ClN15O7S and a molecular weight of 1278.49 g/mol. Its IUPAC name is 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine
• PubChem CID: 159487755
• Molecular Formula: C56H56Br2ClN15O7S
• Molecular Weight: 1278.49 g/mol
• Exact Mass: 1275.23
• IUPAC Name: 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine
• SMILES: CC(=O)c1cc2ccc(Br)cc2[nH]1.CC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.COc1cc(Nc2ccc3[nH]ncc3c2)nc(C)n1.NC1CCOC1.Nc1ccnnc1.O=C(O)c1cc2ccc(Br)cc2s1
• InChI: InChI=1S/C16H16ClN5O2.C13H13N5O.C10H8BrNO.C9H5BrO2S.C4H5N3.C4H9NO/c1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-8-15-12(6-13(16-8)19-2)17-10-3-4-11-9(5-10)7-14-18-11;1-6(13)9-4-7-2-3-8(11)5-10(7)12-9;10-6-2-1-5-3-8(9(11)12)13-7(5)4-6;5-4-1-2-6-7-3-4;5-4-1-2-6-3-4/h4-9H,1-3H3,(H,18,20,21);3-7H,1-2H3,(H,14,18)(H,15,16,17);2-5,12H,1H3;1-4H,(H,11,12);1-3H,(H2,5,6);4H,1-3,5H2
• InChIKey: LXUKBLIDERSDOO-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 314.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1278.49
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine?

The IUPAC name of 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine (CID 159487755) is 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine.

What is the SMILES notation for 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine?

The canonical SMILES for 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine is CC(=O)c1cc2ccc(Br)cc2[nH]1.CC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.COc1cc(Nc2ccc3[nH]ncc3c2)nc(C)n1.NC1CCOC1.Nc1ccnnc1.O=C(O)c1cc2ccc(Br)cc2s1.

What is the InChIKey of 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine?

The InChIKey is LXUKBLIDERSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2.C13H13N5O.C10H8BrNO.C9H5BrO2S.C4H5N3.C4H9NO/c1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-8-15-12(6-13(16-8)19-2)17-10-3-4-11-9(5-10)7-14-18-11;1-6(13)9-4-7-2-3-8(11)5-10(7)12-9;10-6-2-1-5-3-8(9(11)12)13-7(5)4-6;5-4-1-2-6-7-3-4;5-4-1-2-6-3-4/h4-9H,1-3H3,(H,18,20,21);3-7H,1-2H3,(H,14,18)(H,15,16,17);2-5,12H,1H3;1-4H,(H,11,12);1-3H,(H2,5,6);4H,1-3,5H2.

What are the key properties of 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine?

6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine has a molecular weight of 1278.49 g/mol, XLogP of 12.71, 7 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-benzothiophene-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-(6-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-5-amine;oxolan-3-amine;pyridazin-4-amine is sourced from PubChem (CID 159487755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).