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

C29H34N6O3 — CID 46846995

IUPAC2-(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
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)Nc2cc3c(cn2)C[C@]2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C29H34N6O3/c1-27(2,3)23-25(37)35(29(34-23)10-6-4-5-7-11-29)17-22(36)32-21-13-18-14-28(15-19(18)16-31-21)20-9-8-12-30-24(20)33-26(28)38/h8-9,12-13,16H,4-7,10-11,14-15,17H2,1-3H3,(H,30,33,38)(H,31,32,36)/t28-/m0/s1
InChIKeyVOAFQGXTMMCCOY-NDEPHWFRSA-N
MW514.63 g/mol
LogP3.78
Rot. Bonds3

About 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

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 (PubChem CID 46846995) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID46846995
Molecular FormulaC29H34N6O3
Molecular Weight514.63 g/mol
Exact Mass514.27
IUPAC Name2-(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
SMILESCC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)Nc2cc3c(cn2)C[C@]2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C29H34N6O3/c1-27(2,3)23-25(37)35(29(34-23)10-6-4-5-7-11-29)17-22(36)32-21-13-18-14-28(15-19(18)16-31-21)20-9-8-12-30-24(20)33-26(28)38/h8-9,12-13,16H,4-7,10-11,14-15,17H2,1-3H3,(H,30,33,38)(H,31,32,36)/t28-/m0/s1
InChIKeyVOAFQGXTMMCCOY-NDEPHWFRSA-N
XLogP3.78
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553946
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
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
ethane;2-[9-ethenyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.4]non-8-en-1-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
CID 145475239
2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
CID 25127676
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 25173078
5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 70870674
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetic acid
CID 58553934
trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
CID 25206027
2-[3-(3,5-difluorophenyl)-1,3-dimethyl-5-oxo-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75586310
2-[2-(2-methylphenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553877

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=NC2(CCCCCC2)N(CC(=O)Nc2cc3c(cn2)C[C@]2(C3)C(=O)Nc3ncccc32)C1=O.
What is the InChIKey of 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?
The InChIKey is VOAFQGXTMMCCOY-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-27(2,3)23-25(37)35(29(34-23)10-6-4-5-7-11-29)17-22(36)32-21-13-18-14-28(15-19(18)16-31-21)20-9-8-12-30-24(20)33-26(28)38/h8-9,12-13,16H,4-7,10-11,14-15,17H2,1-3H3,(H,30,33,38)(H,31,32,36)/t28-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 514.63 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46846995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).