[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone

C151H173FN36O10 — CID 157175748

About [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone

[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone (PubChem CID 157175748) has the molecular formula C151H173FN36O10 and a molecular weight of 2671.28 g/mol. Its IUPAC name is [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone
• PubChem CID: 157175748
• Molecular Formula: C151H173FN36O10
• Molecular Weight: 2671.28 g/mol
• Exact Mass: 2669.41
• IUPAC Name: [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone
• SMILES: CCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@@H]5CC[C@H]4[C@H]5N)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cc(OC)c3n2C)cc2cccnc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(F)c3n2CC)cc2cccnc21.CCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)ccc3n2C)cc2cccnc21
• InChI: InChI=1S/3C26H30N6O2.C25H30N6O2.C24H27FN6O.C24H26N6O/c3*1-4-10-31-20(12-15-6-5-9-28-24(15)31)25-29-18-11-17(13-21(34-3)23(18)30(25)2)26(33)32-14-16-7-8-19(32)22(16)27;1-4-10-31-20(13-16-7-5-9-27-23(16)31)24-28-19-12-17(14-21(33-3)22(19)29(24)2)25(32)30-11-6-8-18(26)15-30;1-3-30-20(13-15-7-5-9-27-22(15)30)23-28-19-12-16(11-18(25)21(19)31(23)4-2)24(32)29-10-6-8-17(26)14-29;1-3-29-20(12-14-5-4-10-26-22(14)29)23-27-17-11-15(6-8-18(17)28(23)2)24(31)30-13-16-7-9-19(30)21(16)25/h3*5-6,9,11-13,16,19,22H,4,7-8,10,14,27H2,1-3H3;5,7,9,12-14,18H,4,6,8,10-11,15,26H2,1-3H3;5,7,9,11-13,17H,3-4,6,8,10,14,26H2,1-2H3;4-6,8,10-12,16,19,21H,3,7,9,13,25H2,1-2H3/t3*16-,19-,22-;18-;17-;16-,19-,21-/m110111/s1
• InChIKey: ANZDECUQOOAMDD-UJBPEGJYSA-N
• XLogP: 21.25
• TPSA: 528.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2671.28
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone?

The IUPAC name of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone (CID 157175748) is [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone.

What is the SMILES notation for [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone?

The canonical SMILES for [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone is CCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@@H]5CC[C@H]4[C@H]5N)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cc(OC)c3n2C)cc2cccnc21.CCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cc(OC)c3n2C)cc2cccnc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(F)c3n2CC)cc2cccnc21.CCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)ccc3n2C)cc2cccnc21.

What is the InChIKey of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone?

The InChIKey is ANZDECUQOOAMDD-UJBPEGJYSA-N. The full InChI is InChI=1S/3C26H30N6O2.C25H30N6O2.C24H27FN6O.C24H26N6O/c3*1-4-10-31-20(12-15-6-5-9-28-24(15)31)25-29-18-11-17(13-21(34-3)23(18)30(25)2)26(33)32-14-16-7-8-19(32)22(16)27;1-4-10-31-20(13-16-7-5-9-27-23(16)31)24-28-19-12-17(14-21(33-3)22(19)29(24)2)25(32)30-11-6-8-18(26)15-30;1-3-30-20(13-15-7-5-9-27-22(15)30)23-28-19-12-16(11-18(25)21(19)31(23)4-2)24(32)29-10-6-8-17(26)14-29;1-3-29-20(12-14-5-4-10-26-22(14)29)23-27-17-11-15(6-8-18(17)28(23)2)24(31)30-13-16-7-9-19(30)21(16)25/h3*5-6,9,11-13,16,19,22H,4,7-8,10,14,27H2,1-3H3;5,7,9,12-14,18H,4,6,8,10-11,15,26H2,1-3H3;5,7,9,11-13,17H,3-4,6,8,10,14,26H2,1-2H3;4-6,8,10-12,16,19,21H,3,7,9,13,25H2,1-2H3/t3*16-,19-,22-;18-;17-;16-,19-,21-/m110111/s1.

What are the key properties of [(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone?

[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone has a molecular weight of 2671.28 g/mol, XLogP of 21.25, 27 rotatable bonds, 6 hydrogen bond donors, and 40 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-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone;bis([(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-fluorobenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-(1-propylpyrrolo[2,3-b]pyridin-2-yl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 157175748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).