(7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C29H23N5O2 — CID 67173850

About (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

(7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 67173850) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

• Compound Name: (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
• PubChem CID: 67173850
• Molecular Formula: C29H23N5O2
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.19
• IUPAC Name: (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
• SMILES: O=C1Cc2cn(CC3=CCc4cc5c(cc4N3)C[C@]3(C5)C(=O)Nc4ncccc43)c3cccc(c23)N1
• InChI: InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-5,7-10,14,31H,6,11-13,15H2,(H,32,35)(H,30,33,36)/t29-/m0/s1
• InChIKey: CNNCMQXSNDHUOW-LJAQVGFWSA-N
• XLogP: 4.07
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The IUPAC name of (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 67173850) is (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

What is the SMILES notation for (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The canonical SMILES for (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is O=C1Cc2cn(CC3=CCc4cc5c(cc4N3)C[C@]3(C5)C(=O)Nc4ncccc43)c3cccc(c23)N1.

What is the InChIKey of (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The InChIKey is CNNCMQXSNDHUOW-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-5,7-10,14,31H,6,11-13,15H2,(H,32,35)(H,30,33,36)/t29-/m0/s1.

What are the key properties of (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

(7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 473.54 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 67173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).