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

C20H21N5O4 — CID 10363284

IUPAC3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccn(CCCO)n1
InChIInChI=1S/C20H21N5O4/c26-10-2-7-24-12-14(13-4-1-6-21-18(13)24)16-17(20(29)22-19(16)28)15-5-9-25(23-15)8-3-11-27/h1,4-6,9,12,26-27H,2-3,7-8,10-11H2,(H,22,28,29)
InChIKeyTWTYZNXGOCJYIX-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.56
Rot. Bonds8

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

3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 10363284) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID10363284
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccn(CCCO)n1
InChIInChI=1S/C20H21N5O4/c26-10-2-7-24-12-14(13-4-1-6-21-18(13)24)16-17(20(29)22-19(16)28)15-5-9-25(23-15)8-3-11-27/h1,4-6,9,12,26-27H,2-3,7-8,10-11H2,(H,22,28,29)
InChIKeyTWTYZNXGOCJYIX-UHFFFAOYSA-N
XLogP0.56
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (CID 10363284) is 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccn(CCCO)n1.
What is the InChIKey of 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is TWTYZNXGOCJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-10-2-7-24-12-14(13-4-1-6-21-18(13)24)16-17(20(29)22-19(16)28)15-5-9-25(23-15)8-3-11-27/h1,4-6,9,12,26-27H,2-3,7-8,10-11H2,(H,22,28,29).
What are the key properties of 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 395.42 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10363284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).