5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C31H24N6O3 — CID 58117531

IUPAC5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESO=C1CC2CN(C(=O)c3ccnc(Nc4ccc5c(c4)CC4(C5)C(=O)Nc5ncccc54)c3)c3cccc(c32)N1
InChIInChI=1S/C31H24N6O3/c38-26-13-20-16-37(24-5-1-4-23(35-26)27(20)24)29(39)17-8-10-32-25(12-17)34-21-7-6-18-14-31(15-19(18)11-21)22-3-2-9-33-28(22)36-30(31)40/h1-12,20H,13-16H2,(H,32,34)(H,35,38)(H,33,36,40)
InChIKeyJQJIOKYNORNSGY-UHFFFAOYSA-N
MW528.57 g/mol
LogP4.30
Rot. Bonds3

About 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 58117531) has the molecular formula C31H24N6O3 and a molecular weight of 528.57 g/mol. Its IUPAC name is 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID58117531
Molecular FormulaC31H24N6O3
Molecular Weight528.57 g/mol
Exact Mass528.19
IUPAC Name5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESO=C1CC2CN(C(=O)c3ccnc(Nc4ccc5c(c4)CC4(C5)C(=O)Nc5ncccc54)c3)c3cccc(c32)N1
InChIInChI=1S/C31H24N6O3/c38-26-13-20-16-37(24-5-1-4-23(35-26)27(20)24)29(39)17-8-10-32-25(12-17)34-21-7-6-18-14-31(15-19(18)11-21)22-3-2-9-33-28(22)36-30(31)40/h1-12,20H,13-16H2,(H,32,34)(H,35,38)(H,33,36,40)
InChIKeyJQJIOKYNORNSGY-UHFFFAOYSA-N
XLogP4.30
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 58117531) is 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is O=C1CC2CN(C(=O)c3ccnc(Nc4ccc5c(c4)CC4(C5)C(=O)Nc5ncccc54)c3)c3cccc(c32)N1.
What is the InChIKey of 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is JQJIOKYNORNSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6O3/c38-26-13-20-16-37(24-5-1-4-23(35-26)27(20)24)29(39)17-8-10-32-25(12-17)34-21-7-6-18-14-31(15-19(18)11-21)22-3-2-9-33-28(22)36-30(31)40/h1-12,20H,13-16H2,(H,32,34)(H,35,38)(H,33,36,40).
What are the key properties of 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 528.57 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 58117531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).