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

C30H32N4O2 — CID 75219940

IUPAC5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESO=C1C(C2CC2)=NC2(CCCCCC2)N1CC=Cc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C30H32N4O2/c35-27-25(21-11-12-21)33-30(13-3-1-2-4-14-30)34(27)16-6-7-20-9-10-22-18-29(19-23(22)17-20)24-8-5-15-31-26(24)32-28(29)36/h5-10,15,17,21H,1-4,11-14,16,18-19H2,(H,31,32,36)
InChIKeyYJRLWCZGAUKRIV-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.83
Rot. Bonds4

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

5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 75219940) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID75219940
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESO=C1C(C2CC2)=NC2(CCCCCC2)N1CC=Cc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C30H32N4O2/c35-27-25(21-11-12-21)33-30(13-3-1-2-4-14-30)34(27)16-6-7-20-9-10-22-18-29(19-23(22)17-20)24-8-5-15-31-26(24)32-28(29)36/h5-10,15,17,21H,1-4,11-14,16,18-19H2,(H,31,32,36)
InChIKeyYJRLWCZGAUKRIV-UHFFFAOYSA-N
XLogP4.83
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 44468576
(2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 44468711
(2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 44469523
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2,2-dimethyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]propanamide
CID 58379682
N-[[2-[(diaminomethylideneamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473424
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473514
2,2-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473608
2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945134
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
CID 72945135
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]oxane-4-carboxamide
CID 72945137
2,2-dimethyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945338
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]propanamide
CID 72945339

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 75219940) is 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is O=C1C(C2CC2)=NC2(CCCCCC2)N1CC=Cc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is YJRLWCZGAUKRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c35-27-25(21-11-12-21)33-30(13-3-1-2-4-14-30)34(27)16-6-7-20-9-10-22-18-29(19-23(22)17-20)24-8-5-15-31-26(24)32-28(29)36/h5-10,15,17,21H,1-4,11-14,16,18-19H2,(H,31,32,36).
What are the key properties of 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 480.61 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyclopropyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 75219940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).