[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate

C26H24N4O6 — CID 142081928

IUPAC[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC34CC4)cn(C(C)=O)c2n1
InChIInChI=1S/C26H24N4O6/c1-16(31)29-14-20(19-8-9-21(27-23(19)29)36-17(2)32)22(33)25(35)30-13-12-28(15-26(30)10-11-26)24(34)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCBWMUCMVJYRRHO-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.32
Rot. Bonds4

About [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate

[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate (PubChem CID 142081928) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate.

Molecular Properties

Compound Name[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate
PubChem CID142081928
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Name[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC34CC4)cn(C(C)=O)c2n1
InChIInChI=1S/C26H24N4O6/c1-16(31)29-14-20(19-8-9-21(27-23(19)29)36-17(2)32)22(33)25(35)30-13-12-28(15-26(30)10-11-26)24(34)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCBWMUCMVJYRRHO-UHFFFAOYSA-N
XLogP2.32
TPSA118.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate with MolForge

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Related Compounds

Bms-378806
CID 5495818
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-
CID 5495819
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-
CID 5495820
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 68083605
N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 127039654
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 127039655
N-(2-(3-((4-(4-fluorobenzoyl)piperidin-1-yl)methyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
CID 54583161
2-(3-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683600
(1R,3S,5R)-2-[2-(3-acetylpyrrolo[2,3-b]pyridin-1-yl)acetyl]-N-[3-(trifluoromethoxy)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118796754
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethane-1,2-dione
CID 5495821
[1-(4-Ethoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156810931
[1-[1-[(4-Methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811037

Frequently Asked Questions

What is the IUPAC name of [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate?
The IUPAC name of [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate (CID 142081928) is [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate.
What is the SMILES notation for [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate?
The canonical SMILES for [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate is CC(=O)Oc1ccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC34CC4)cn(C(C)=O)c2n1.
What is the InChIKey of [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate?
The InChIKey is CBWMUCMVJYRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-16(31)29-14-20(19-8-9-21(27-23(19)29)36-17(2)32)22(33)25(35)30-13-12-28(15-26(30)10-11-26)24(34)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate?
[1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate has a molecular weight of 488.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyl-3-[2-(7-benzoyl-4,7-diazaspiro[2.5]octan-4-yl)-2-oxoacetyl]pyrrolo[2,3-b]pyridin-6-yl] acetate is sourced from PubChem (CID 142081928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).