7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione

C29H19N5O3 — CID 23581952

About 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione

7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione (PubChem CID 23581952) has the molecular formula C29H19N5O3 and a molecular weight of 485.50 g/mol. Its IUPAC name is 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione.

Molecular Properties

• Compound Name: 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione
• PubChem CID: 23581952
• Molecular Formula: C29H19N5O3
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.15
• IUPAC Name: 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione
• SMILES: O=C1Nc2cccc3c2c1cc(=O)n3Cc1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21
• InChI: InChI=1S/C29H19N5O3/c35-24-11-19-25-21(32-27(19)36)4-1-5-23(25)34(24)14-18-7-6-15-9-16-12-29(13-17(16)10-22(15)31-18)20-3-2-8-30-26(20)33-28(29)37/h1-11H,12-14H2,(H,32,36)(H,30,33,37)
• InChIKey: AGSKFHRQLKYQFD-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione?

The IUPAC name of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione (CID 23581952) is 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione.

What is the SMILES notation for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione?

The canonical SMILES for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione is O=C1Nc2cccc3c2c1cc(=O)n3Cc1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21.

What is the InChIKey of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione?

The InChIKey is AGSKFHRQLKYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5O3/c35-24-11-19-25-21(32-27(19)36)4-1-5-23(25)34(24)14-18-7-6-15-9-16-12-29(13-17(16)10-22(15)31-18)20-3-2-8-30-26(20)33-28(29)37/h1-11H,12-14H2,(H,32,36)(H,30,33,37).

What are the key properties of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione?

7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione has a molecular weight of 485.50 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione is sourced from PubChem (CID 23581952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).