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

C34H33N7O2 — CID 166493966

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

5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one (PubChem CID 166493966) has the molecular formula C34H33N7O2 and a molecular weight of 571.69 g/mol. Its IUPAC name is 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one
• PubChem CID: 166493966
• Molecular Formula: C34H33N7O2
• Molecular Weight: 571.69 g/mol
• Exact Mass: 571.27
• IUPAC Name: 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one
• SMILES: Cn1c(-c2cc3ccc(-c4ccc5c(c4)CC(=O)N5)nc3n2CC2CC2)nc2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc21
• InChI: InChI=1S/C34H33N7O2/c1-39-27-10-6-21(34(43)41-17-22-7-11-28(41)31(22)35)13-26(27)38-33(39)29-14-20-5-9-24(37-32(20)40(29)16-18-2-3-18)19-4-8-25-23(12-19)15-30(42)36-25/h4-6,8-10,12-14,18,22,28,31H,2-3,7,11,15-17,35H2,1H3,(H,36,42)/t22?,28?,31-/m1/s1
• InChIKey: DXRUKQNLFQHENI-RXEARMEOSA-N
• XLogP: 4.72
• TPSA: 111.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.69
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one (CID 166493966) is 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one.

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

The canonical SMILES for 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one is Cn1c(-c2cc3ccc(-c4ccc5c(c4)CC(=O)N5)nc3n2CC2CC2)nc2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc21.

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

The InChIKey is DXRUKQNLFQHENI-RXEARMEOSA-N. The full InChI is InChI=1S/C34H33N7O2/c1-39-27-10-6-21(34(43)41-17-22-7-11-28(41)31(22)35)13-26(27)38-33(39)29-14-20-5-9-24(37-32(20)40(29)16-18-2-3-18)19-4-8-25-23(12-19)15-30(42)36-25/h4-6,8-10,12-14,18,22,28,31H,2-3,7,11,15-17,35H2,1H3,(H,36,42)/t22?,28?,31-/m1/s1.

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

5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one has a molecular weight of 571.69 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 166493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).