2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C28H23N5O3 — CID 11698614

IUPAC2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCN1C(=O)Cc2cn(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3cccc1c23
InChIInChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)
InChIKeyZGXXRWFKEBLBBN-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.18
Rot. Bonds3

About 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 11698614) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID11698614
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCN1C(=O)Cc2cn(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3cccc1c23
InChIInChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)
InChIKeyZGXXRWFKEBLBBN-UHFFFAOYSA-N
XLogP3.18
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 11698614) is 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CN1C(=O)Cc2cn(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c3cccc1c23.
What is the InChIKey of 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is ZGXXRWFKEBLBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36).
What are the key properties of 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 477.52 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 11698614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).