3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

C26H23N7O2 — CID 141451170

IUPAC3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESCCn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C26H23N7O2/c1-2-33-24-18(8-5-10-28-24)23(30-33)22-21(25(34)29-26(22)35)19-15-32(20-9-4-3-7-17(19)20)13-6-12-31-14-11-27-16-31/h3-5,7-11,14-16H,2,6,12-13H2,1H3,(H,29,34,35)
InChIKeyXCEYIDNSVBTGAG-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.26
Rot. Bonds7

About 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 141451170) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID141451170
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESCCn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C26H23N7O2/c1-2-33-24-18(8-5-10-28-24)23(30-33)22-21(25(34)29-26(22)35)19-15-32(20-9-4-3-7-17(19)20)13-6-12-31-14-11-27-16-31/h3-5,7-11,14-16H,2,6,12-13H2,1H3,(H,29,34,35)
InChIKeyXCEYIDNSVBTGAG-UHFFFAOYSA-N
XLogP3.26
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Ly-2090314
CID 10029385
Bms-911543
CID 50922691
Pimitespib
CID 67501411
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
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N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
PKCbeta Inhibitor
CID 6419755
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (CID 141451170) is 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is CCn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is XCEYIDNSVBTGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-2-33-24-18(8-5-10-28-24)23(30-33)22-21(25(34)29-26(22)35)19-15-32(20-9-4-3-7-17(19)20)13-6-12-31-14-11-27-16-31/h3-5,7-11,14-16H,2,6,12-13H2,1H3,(H,29,34,35).
What are the key properties of 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 465.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 141451170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).