3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one

C30H35N5O2 — CID 58553940

IUPAC3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(C/C=C/c2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C30H35N5O2/c1-28(2,3)24-26(36)35(30(34-24)12-6-4-5-7-13-30)15-9-10-20-16-21-17-29(18-23(21)32-19-20)22-11-8-14-31-25(22)33-27(29)37/h8-11,14,16,19H,4-7,12-13,15,17-18H2,1-3H3,(H,31,33,37)/b10-9+
InChIKeyVVACOOOJRYSMQO-MDZDMXLPSA-N
MW497.64 g/mol
LogP4.86
Rot. Bonds3

About 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one

3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one (PubChem CID 58553940) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one.

Molecular Properties

Compound Name3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
PubChem CID58553940
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(C/C=C/c2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C30H35N5O2/c1-28(2,3)24-26(36)35(30(34-24)12-6-4-5-7-13-30)15-9-10-20-16-21-17-29(18-23(21)32-19-20)22-11-8-14-31-25(22)33-27(29)37/h8-11,14,16,19H,4-7,12-13,15,17-18H2,1-3H3,(H,31,33,37)/b10-9+
InChIKeyVVACOOOJRYSMQO-MDZDMXLPSA-N
XLogP4.86
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one with MolForge

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Related Compounds

3'-[3-(2-tert-butyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90952949
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
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl]acetamide
CID 46846995
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 46846575
3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58553902
3'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 123217091
2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
CID 46847492
3'-[3-[2-(2-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58553922
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]propanamide
CID 67340479
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-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 58379668

Frequently Asked Questions

What is the IUPAC name of 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The IUPAC name of 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one (CID 58553940) is 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one.
What is the SMILES notation for 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The canonical SMILES for 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one is CC(C)(C)C1=NC2(CCCCCC2)N(C/C=C/c2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.
What is the InChIKey of 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The InChIKey is VVACOOOJRYSMQO-MDZDMXLPSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-28(2,3)24-26(36)35(30(34-24)12-6-4-5-7-13-30)15-9-10-20-16-21-17-29(18-23(21)32-19-20)22-11-8-14-31-25(22)33-27(29)37/h8-11,14,16,19H,4-7,12-13,15,17-18H2,1-3H3,(H,31,33,37)/b10-9+.
What are the key properties of 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one has a molecular weight of 497.64 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one is sourced from PubChem (CID 58553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).