6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one

C36H37N7O4 — CID 167258481

About 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one

6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167258481) has the molecular formula C36H37N7O4 and a molecular weight of 631.74 g/mol. Its IUPAC name is 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 167258481
• Molecular Formula: C36H37N7O4
• Molecular Weight: 631.74 g/mol
• Exact Mass: 631.29
• IUPAC Name: 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
• SMILES: COc1cc(C(=O)N2CC3CCC2C3N)cc2nc(-c3cc4ccc(-c5cc6c(cc5O)NC(=O)CC6)nc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C36H37N7O4/c1-41-33-26(12-22(14-30(33)47-2)36(46)43-17-21-6-9-27(43)32(21)37)40-35(41)28-13-20-5-8-24(39-34(20)42(28)16-18-3-4-18)23-11-19-7-10-31(45)38-25(19)15-29(23)44/h5,8,11-15,18,21,27,32,44H,3-4,6-7,9-10,16-17,37H2,1-2H3,(H,38,45)
• InChIKey: HQGSQATWZMANFG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 140.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.74
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 167258481) is 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one is COc1cc(C(=O)N2CC3CCC2C3N)cc2nc(-c3cc4ccc(-c5cc6c(cc5O)NC(=O)CC6)nc4n3CC3CC3)n(C)c12.

What is the InChIKey of 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is HQGSQATWZMANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O4/c1-41-33-26(12-22(14-30(33)47-2)36(46)43-17-21-6-9-27(43)32(21)37)40-35(41)28-13-20-5-8-24(39-34(20)42(28)16-18-3-4-18)23-11-19-7-10-31(45)38-25(19)15-29(23)44/h5,8,11-15,18,21,27,32,44H,3-4,6-7,9-10,16-17,37H2,1-2H3,(H,38,45).

What are the key properties of 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?

6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 631.74 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[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]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167258481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).