3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione

C22H18N4O3 — CID 69374015

IUPAC3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3nccn23)=C1c1cn(CCCO)c2ccccc12
InChIInChI=1S/C22H18N4O3/c27-12-4-10-25-13-15(14-5-1-2-6-16(14)25)19-20(22(29)24-21(19)28)17-7-3-8-18-23-9-11-26(17)18/h1-3,5-9,11,13,27H,4,10,12H2,(H,24,28,29)
InChIKeyCBKFARGEWLMQQW-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.24
Rot. Bonds5

About 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione

3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione (PubChem CID 69374015) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
PubChem CID69374015
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3nccn23)=C1c1cn(CCCO)c2ccccc12
InChIInChI=1S/C22H18N4O3/c27-12-4-10-25-13-15(14-5-1-2-6-16(14)25)19-20(22(29)24-21(19)28)17-7-3-8-18-23-9-11-26(17)18/h1-3,5-9,11,13,27H,4,10,12H2,(H,24,28,29)
InChIKeyCBKFARGEWLMQQW-UHFFFAOYSA-N
XLogP2.24
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3,4-bis[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;3,4-bis(1H-indol-2-yl)pyrrole-2,5-dione
CID 70210567
3-(1-butylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727280
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
CID 155534982
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-imidazo[1,2-a]pyridin-3-yl-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
CID 69373508
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione (CID 69374015) is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cccc3nccn23)=C1c1cn(CCCO)c2ccccc12.
What is the InChIKey of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione?
The InChIKey is CBKFARGEWLMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-12-4-10-25-13-15(14-5-1-2-6-16(14)25)19-20(22(29)24-21(19)28)17-7-3-8-18-23-9-11-26(17)18/h1-3,5-9,11,13,27H,4,10,12H2,(H,24,28,29).
What are the key properties of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione has a molecular weight of 386.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione is sourced from PubChem (CID 69374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).