6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)

C78H73BrN24O3 — CID 161315746

About 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)

6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide) (PubChem CID 161315746) has the molecular formula C78H73BrN24O3 and a molecular weight of 1474.51 g/mol. Its IUPAC name is 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide).

Molecular Properties

• Compound Name: 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)
• PubChem CID: 161315746
• Molecular Formula: C78H73BrN24O3
• Molecular Weight: 1474.51 g/mol
• Exact Mass: 1472.55
• IUPAC Name: 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-n4cnc(C5CC5)c4)ccc3cn2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-n4cnc(C5CC5)c4)ccc3cn2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1.c1ncc(C2CC2)[nH]1
• InChI: InChI=1S/2C26H24N8O.C20H17BrN6O.C6H8N2/c2*1-16(2)34-15-29-32-25(34)21-4-3-5-24(30-21)31-26(35)22-11-19-10-20(9-8-18(19)12-27-22)33-13-23(28-14-33)17-6-7-17;1-12(2)27-11-23-26-19(27)16-4-3-5-18(24-16)25-20(28)17-9-14-8-15(21)7-6-13(14)10-22-17;1-2-5(1)6-3-7-4-8-6/h2*3-5,8-17H,6-7H2,1-2H3,(H,30,31,35);3-12H,1-2H3,(H,24,25,28);3-5H,1-2H2,(H,7,8)
• InChIKey: VJLXIXNZMIIXSY-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 321.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.51
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)?

The IUPAC name of 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide) (CID 161315746) is 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide).

What is the SMILES notation for 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)?

The canonical SMILES for 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide) is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-n4cnc(C5CC5)c4)ccc3cn2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-n4cnc(C5CC5)c4)ccc3cn2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1.c1ncc(C2CC2)[nH]1.

What is the InChIKey of 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)?

The InChIKey is VJLXIXNZMIIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N8O.C20H17BrN6O.C6H8N2/c2*1-16(2)34-15-29-32-25(34)21-4-3-5-24(30-21)31-26(35)22-11-19-10-20(9-8-18(19)12-27-22)33-13-23(28-14-33)17-6-7-17;1-12(2)27-11-23-26-19(27)16-4-3-5-18(24-16)25-20(28)17-9-14-8-15(21)7-6-13(14)10-22-17;1-2-5(1)6-3-7-4-8-6/h2*3-5,8-17H,6-7H2,1-2H3,(H,30,31,35);3-12H,1-2H3,(H,24,25,28);3-5H,1-2H2,(H,7,8).

What are the key properties of 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)?

6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide) has a molecular weight of 1474.51 g/mol, XLogP of 15.34, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide;5-cyclopropyl-1H-imidazole;bis(6-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide) is sourced from PubChem (CID 161315746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).