2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C27H22N6O5 — CID 11533571

IUPAC2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCOc1ccc2c3c1NC(=O)Cn3c(=O)n2CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C27H22N6O5/c1-38-19-7-6-18-23-22(19)30-21(35)13-33(23)26(37)32(18)12-20(34)29-16-5-4-14-10-27(11-15(14)9-16)17-3-2-8-28-24(17)31-25(27)36/h2-9H,10-13H2,1H3,(H,29,34)(H,30,35)(H,28,31,36)
InChIKeySDFRWPANBFFFTM-UHFFFAOYSA-N
MW510.51 g/mol
LogP1.79
Rot. Bonds4

About 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 11533571) has the molecular formula C27H22N6O5 and a molecular weight of 510.51 g/mol. Its IUPAC name is 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID11533571
Molecular FormulaC27H22N6O5
Molecular Weight510.51 g/mol
Exact Mass510.17
IUPAC Name2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCOc1ccc2c3c1NC(=O)Cn3c(=O)n2CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C27H22N6O5/c1-38-19-7-6-18-23-22(19)30-21(35)13-33(23)26(37)32(18)12-20(34)29-16-5-4-14-10-27(11-15(14)9-16)17-3-2-8-28-24(17)31-25(27)36/h2-9H,10-13H2,1H3,(H,29,34)(H,30,35)(H,28,31,36)
InChIKeySDFRWPANBFFFTM-UHFFFAOYSA-N
XLogP1.79
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 11533571) is 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-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-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is COc1ccc2c3c1NC(=O)Cn3c(=O)n2CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is SDFRWPANBFFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O5/c1-38-19-7-6-18-23-22(19)30-21(35)13-33(23)26(37)32(18)12-20(34)29-16-5-4-14-10-27(11-15(14)9-16)17-3-2-8-28-24(17)31-25(27)36/h2-9H,10-13H2,1H3,(H,29,34)(H,30,35)(H,28,31,36).
What are the key properties of 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 510.51 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 11533571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).