6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine

C63H58Br2N18O6 — CID 159468993

About 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine

6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine (PubChem CID 159468993) has the molecular formula C63H58Br2N18O6 and a molecular weight of 1323.08 g/mol. Its IUPAC name is 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine
• PubChem CID: 159468993
• Molecular Formula: C63H58Br2N18O6
• Molecular Weight: 1323.08 g/mol
• Exact Mass: 1320.32
• IUPAC Name: 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine
• SMILES: C.CC(C)(C)OC(=O)n1cc(-c2ccc(N)cc2)cn1.Nc1ccnnc1.O=C(Nc1ccnnc1)c1cc2ccc(Br)cc2[nH]1.O=C(Nc1ccnnc1)c1cc2ccc(Nc3ccc(-c4cn[nH]c4)cc3)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1
• InChI: InChI=1S/C22H17N7O.C14H17N3O2.C13H9BrN4O.C9H6BrNO2.C4H5N3.CH4/c30-22(28-19-7-8-23-26-13-19)21-9-15-3-6-18(10-20(15)29-21)27-17-4-1-14(2-5-17)16-11-24-25-12-16;1-14(2,3)19-13(18)17-9-11(8-16-17)10-4-6-12(15)7-5-10;14-9-2-1-8-5-12(18-11(8)6-9)13(19)17-10-3-4-15-16-7-10;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;5-4-1-2-6-7-3-4;/h1-13,27,29H,(H,24,25)(H,23,28,30);4-9H,15H2,1-3H3;1-7,18H,(H,15,17,19);1-4,11H,(H,12,13);1-3H,(H2,5,6);1H4
• InChIKey: LVOAJOIJPWCOKS-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 357.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1323.08
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine?

The IUPAC name of 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine (CID 159468993) is 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine.

What is the SMILES notation for 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine?

The canonical SMILES for 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine is C.CC(C)(C)OC(=O)n1cc(-c2ccc(N)cc2)cn1.Nc1ccnnc1.O=C(Nc1ccnnc1)c1cc2ccc(Br)cc2[nH]1.O=C(Nc1ccnnc1)c1cc2ccc(Nc3ccc(-c4cn[nH]c4)cc3)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1.

What is the InChIKey of 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine?

The InChIKey is LVOAJOIJPWCOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O.C14H17N3O2.C13H9BrN4O.C9H6BrNO2.C4H5N3.CH4/c30-22(28-19-7-8-23-26-13-19)21-9-15-3-6-18(10-20(15)29-21)27-17-4-1-14(2-5-17)16-11-24-25-12-16;1-14(2,3)19-13(18)17-9-11(8-16-17)10-4-6-12(15)7-5-10;14-9-2-1-8-5-12(18-11(8)6-9)13(19)17-10-3-4-15-16-7-10;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;5-4-1-2-6-7-3-4;/h1-13,27,29H,(H,24,25)(H,23,28,30);4-9H,15H2,1-3H3;1-7,18H,(H,15,17,19);1-4,11H,(H,12,13);1-3H,(H2,5,6);1H4.

What are the key properties of 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine?

6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine has a molecular weight of 1323.08 g/mol, XLogP of 13.56, 9 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine is sourced from PubChem (CID 159468993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).