3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione

C19H18N4O3 — CID 10473060

IUPAC3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione
SMILESCn1ccc(C2=C(c3cn(CCCO)c4ncccc34)C(=O)NC2=O)c1
InChIInChI=1S/C19H18N4O3/c1-22-8-5-12(10-22)15-16(19(26)21-18(15)25)14-11-23(7-3-9-24)17-13(14)4-2-6-20-17/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,21,25,26)
InChIKeyMCFAJBRVSDYFIJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.32
Rot. Bonds5

About 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione

3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione (PubChem CID 10473060) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione
PubChem CID10473060
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione
SMILESCn1ccc(C2=C(c3cn(CCCO)c4ncccc34)C(=O)NC2=O)c1
InChIInChI=1S/C19H18N4O3/c1-22-8-5-12(10-22)15-16(19(26)21-18(15)25)14-11-23(7-3-9-24)17-13(14)4-2-6-20-17/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,21,25,26)
InChIKeyMCFAJBRVSDYFIJ-UHFFFAOYSA-N
XLogP1.32
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.32
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

GSK-3beta Inhibitor XI
CID 10020713
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-thiophen-2-yl-pyrrole-2,5-dione
CID 9975371
3-(2-chlorophenyl)-4-[1-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2,5-dione
CID 9977154
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-yl-pyrrole-2,5-dione
CID 10000872
3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 10001523
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-trifluoromethyl-phenyl)-pyrrole-2,5-dione
CID 10001880
3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 10001889
3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-yl-pyrrole-2,5-dione
CID 10002471
17,20-Dioxa-4,12,14,23,25-pentazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24(29),25,27-nonaene-3,5-dione
CID 10114332
17,20,23-Trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
CID 10141037
17,20,23,26-Tetraoxa-4,12,14,29,31-pentazahexacyclo[27.6.1.17,14.02,6.08,13.030,35]heptatriaconta-1(36),2(6),7(37),8(13),9,11,30(35),31,33-nonaene-3,5-dione
CID 10143231

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione (CID 10473060) is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione is Cn1ccc(C2=C(c3cn(CCCO)c4ncccc34)C(=O)NC2=O)c1.
What is the InChIKey of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione?
The InChIKey is MCFAJBRVSDYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-8-5-12(10-22)15-16(19(26)21-18(15)25)14-11-23(7-3-9-24)17-13(14)4-2-6-20-17/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,21,25,26).
What are the key properties of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione has a molecular weight of 350.38 g/mol, XLogP of 1.32, 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)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-methylpyrrol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10473060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).