[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone

C33H37N7O2 — CID 166017404

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone (PubChem CID 166017404) has the molecular formula C33H37N7O2 and a molecular weight of 563.71 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone
• PubChem CID: 166017404
• Molecular Formula: C33H37N7O2
• Molecular Weight: 563.71 g/mol
• Exact Mass: 563.30
• IUPAC Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone
• SMILES: COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccccc4n3CC3CC3)n(Cc3cnn(C)c3C)c12
• InChI: InChI=1S/C33H37N7O2/c1-19-24(15-35-37(19)2)18-40-31-25(12-23(14-29(31)42-3)33(41)39-17-22-10-11-27(39)30(22)34)36-32(40)28-13-21-6-4-5-7-26(21)38(28)16-20-8-9-20/h4-7,12-15,20,22,27,30H,8-11,16-18,34H2,1-3H3/t22?,27?,30-/m1/s1
• InChIKey: DYXRLBVWXQWYJT-STHVYQTBSA-N
• XLogP: 4.73
• TPSA: 96.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.71
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone?

The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone (CID 166017404) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone.

What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone?

The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone is COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccccc4n3CC3CC3)n(Cc3cnn(C)c3C)c12.

What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone?

The InChIKey is DYXRLBVWXQWYJT-STHVYQTBSA-N. The full InChI is InChI=1S/C33H37N7O2/c1-19-24(15-35-37(19)2)18-40-31-25(12-23(14-29(31)42-3)33(41)39-17-22-10-11-27(39)30(22)34)36-32(40)28-13-21-6-4-5-7-26(21)38(28)16-20-8-9-20/h4-7,12-15,20,22,27,30H,8-11,16-18,34H2,1-3H3/t22?,27?,30-/m1/s1.

What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone?

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone has a molecular weight of 563.71 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxybenzimidazol-5-yl]methanone is sourced from PubChem (CID 166017404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).