[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone

C26H27FN6O — CID 129230772

About [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone

[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone (PubChem CID 129230772) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone
• PubChem CID: 129230772
• Molecular Formula: C26H27FN6O
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.22
• IUPAC Name: [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone
• SMILES: Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)c(F)cc21
• InChI: InChI=1S/C26H27FN6O/c1-31-21-11-18(27)17(26(34)33-13-16-6-7-20(33)23(16)28)10-19(21)30-25(31)22-9-15-3-2-8-29-24(15)32(22)12-14-4-5-14/h2-3,8-11,14,16,20,23H,4-7,12-13,28H2,1H3/t16-,20-,23-/m1/s1
• InChIKey: OPRADPOQTPCZMB-AYPBNUJASA-N
• XLogP: 3.70
• TPSA: 81.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone?

The IUPAC name of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone (CID 129230772) is [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone.

What is the SMILES notation for [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone?

The canonical SMILES for [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone is Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)c(F)cc21.

What is the InChIKey of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone?

The InChIKey is OPRADPOQTPCZMB-AYPBNUJASA-N. The full InChI is InChI=1S/C26H27FN6O/c1-31-21-11-18(27)17(26(34)33-13-16-6-7-20(33)23(16)28)10-19(21)30-25(31)22-9-15-3-2-8-29-24(15)32(22)12-14-4-5-14/h2-3,8-11,14,16,20,23H,4-7,12-13,28H2,1H3/t16-,20-,23-/m1/s1.

What are the key properties of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone?

[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 458.54 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-6-fluoro-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 129230772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).