5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one

C35H34FN7O3 — CID 167257092

About 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one

5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one (PubChem CID 167257092) has the molecular formula C35H34FN7O3 and a molecular weight of 619.70 g/mol. Its IUPAC name is 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one
• PubChem CID: 167257092
• Molecular Formula: C35H34FN7O3
• Molecular Weight: 619.70 g/mol
• Exact Mass: 619.27
• IUPAC Name: 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one
• SMILES: COc1cc(C(=O)N2CC3CCC2C3N)cc2nc(-c3cc4ccc(-c5ccc6c(c5F)CC(=O)N6)nc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C35H34FN7O3/c1-41-32-25(11-20(13-28(32)46-2)35(45)43-16-19-6-10-26(43)31(19)37)40-34(41)27-12-18-5-8-23(39-33(18)42(27)15-17-3-4-17)21-7-9-24-22(30(21)36)14-29(44)38-24/h5,7-9,11-13,17,19,26,31H,3-4,6,10,14-16,37H2,1-2H3,(H,38,44)
• InChIKey: FSVJAUIRIHHDFJ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.70
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one?

The IUPAC name of 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one (CID 167257092) is 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one is COc1cc(C(=O)N2CC3CCC2C3N)cc2nc(-c3cc4ccc(-c5ccc6c(c5F)CC(=O)N6)nc4n3CC3CC3)n(C)c12.

What is the InChIKey of 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one?

The InChIKey is FSVJAUIRIHHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN7O3/c1-41-32-25(11-20(13-28(32)46-2)35(45)43-16-19-6-10-26(43)31(19)37)40-34(41)27-12-18-5-8-23(39-33(18)42(27)15-17-3-4-17)21-7-9-24-22(30(21)36)14-29(44)38-24/h5,7-9,11-13,17,19,26,31H,3-4,6,10,14-16,37H2,1-2H3,(H,38,44).

What are the key properties of 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one?

5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one has a molecular weight of 619.70 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-(7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-4-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 167257092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).