5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one

C30H36N4O2 — CID 70870668

IUPAC5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC(CN1C(=O)C(C2CC2)=NC12CCCCCC2)c1ccc2c(c1)CC1(C2)C(=O)NC2=C1C=CCN2
InChIInChI=1S/C30H36N4O2/c1-19(18-34-27(35)25(20-8-9-20)33-30(34)12-4-2-3-5-13-30)21-10-11-22-16-29(17-23(22)15-21)24-7-6-14-31-26(24)32-28(29)36/h6-7,10-11,15,19-20,31H,2-5,8-9,12-14,16-18H2,1H3,(H,32,36)
InChIKeyWVJAXFYDEBKSQS-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.12
Rot. Bonds4

About 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 70870668) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID70870668
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC(CN1C(=O)C(C2CC2)=NC12CCCCCC2)c1ccc2c(c1)CC1(C2)C(=O)NC2=C1C=CCN2
InChIInChI=1S/C30H36N4O2/c1-19(18-34-27(35)25(20-8-9-20)33-30(34)12-4-2-3-5-13-30)21-10-11-22-16-29(17-23(22)15-21)24-7-6-14-31-26(24)32-28(29)36/h6-7,10-11,15,19-20,31H,2-5,8-9,12-14,16-18H2,1H3,(H,32,36)
InChIKeyWVJAXFYDEBKSQS-UHFFFAOYSA-N
XLogP4.12
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 70870668) is 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one is CC(CN1C(=O)C(C2CC2)=NC12CCCCCC2)c1ccc2c(c1)CC1(C2)C(=O)NC2=C1C=CCN2.
What is the InChIKey of 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is WVJAXFYDEBKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-19(18-34-27(35)25(20-8-9-20)33-30(34)12-4-2-3-5-13-30)21-10-11-22-16-29(17-23(22)15-21)24-7-6-14-31-26(24)32-28(29)36/h6-7,10-11,15,19-20,31H,2-5,8-9,12-14,16-18H2,1H3,(H,32,36).
What are the key properties of 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 484.64 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)propan-2-yl]spiro[1,3-dihydroindene-2,3'-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 70870668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).