[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone

C29H33N7O2 — CID 166017293

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone (PubChem CID 166017293) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone
• PubChem CID: 166017293
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone
• SMILES: COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C3CNC3)c12
• InChI: InChI=1S/C29H33N7O2/c1-38-24-11-19(29(37)35-15-18-6-7-22(35)25(18)30)9-21-26(24)36(20-12-31-13-20)28(33-21)23-10-17-3-2-8-32-27(17)34(23)14-16-4-5-16/h2-3,8-11,16,18,20,22,25,31H,4-7,12-15,30H2,1H3/t18?,22?,25-/m1/s1
• InChIKey: UHIATVFEMWNPDV-WWYLULBNSA-N
• XLogP: 3.18
• TPSA: 103.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
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]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone?

The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone (CID 166017293) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone.

What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone?

The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone is COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C3CNC3)c12.

What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone?

The InChIKey is UHIATVFEMWNPDV-WWYLULBNSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-38-24-11-19(29(37)35-15-18-6-7-22(35)25(18)30)9-21-26(24)36(20-12-31-13-20)28(33-21)23-10-17-3-2-8-32-27(17)34(23)14-16-4-5-16/h2-3,8-11,16,18,20,22,25,31H,4-7,12-15,30H2,1H3/t18?,22?,25-/m1/s1.

What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone?

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone has a molecular weight of 511.63 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 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]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone is sourced from PubChem (CID 166017293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).