(4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole

C27H40N6 — CID 134860771

About (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole

(4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole (PubChem CID 134860771) has the molecular formula C27H40N6 and a molecular weight of 448.66 g/mol. Its IUPAC name is (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

• Compound Name: (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole
• PubChem CID: 134860771
• Molecular Formula: C27H40N6
• Molecular Weight: 448.66 g/mol
• Exact Mass: 448.33
• IUPAC Name: (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole
• SMILES: CC1CCC(C(C)C)c2nn(C(c3nccn3C)n3cc4c(n3)[C@@H](C(C)C)CC[C@H]4C)cc21
• InChI: InChI=1S/C27H40N6/c1-16(2)20-10-8-18(5)22-14-32(29-24(20)22)27(26-28-12-13-31(26)7)33-15-23-19(6)9-11-21(17(3)4)25(23)30-33/h12-21,27H,8-11H2,1-7H3/t18-,19?,20-,21?,27?/m1/s1
• InChIKey: DMGGLQRLEGLGHJ-OHSMPWGDSA-N
• XLogP: 6.18
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.66
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole?

The IUPAC name of (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole (CID 134860771) is (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole.

What is the SMILES notation for (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole?

The canonical SMILES for (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole is CC1CCC(C(C)C)c2nn(C(c3nccn3C)n3cc4c(n3)[C@@H](C(C)C)CC[C@H]4C)cc21.

What is the InChIKey of (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole?

The InChIKey is DMGGLQRLEGLGHJ-OHSMPWGDSA-N. The full InChI is InChI=1S/C27H40N6/c1-16(2)20-10-8-18(5)22-14-32(29-24(20)22)27(26-28-12-13-31(26)7)33-15-23-19(6)9-11-21(17(3)4)25(23)30-33/h12-21,27H,8-11H2,1-7H3/t18-,19?,20-,21?,27?/m1/s1.

What are the key properties of (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole?

(4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 448.66 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R)-4-methyl-2-[(1-methylimidazol-2-yl)-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)methyl]-7-propan-2-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 134860771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).