3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

C20H19N5O3 — CID 10339558

IUPAC3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cc2n(n1)CCC2
InChIInChI=1S/C20H19N5O3/c26-9-3-7-24-11-14(13-5-1-6-21-18(13)24)16-17(20(28)22-19(16)27)15-10-12-4-2-8-25(12)23-15/h1,5-6,10-11,26H,2-4,7-9H2,(H,22,27,28)
InChIKeyYANGUQZFCVEZNT-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.13
Rot. Bonds5

About 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 10339558) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID10339558
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cc2n(n1)CCC2
InChIInChI=1S/C20H19N5O3/c26-9-3-7-24-11-14(13-5-1-6-21-18(13)24)16-17(20(28)22-19(16)27)15-10-12-4-2-8-25(12)23-15/h1,5-6,10-11,26H,2-4,7-9H2,(H,22,27,28)
InChIKeyYANGUQZFCVEZNT-UHFFFAOYSA-N
XLogP1.13
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (CID 10339558) is 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cc2n(n1)CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is YANGUQZFCVEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-9-3-7-24-11-14(13-5-1-6-21-18(13)24)16-17(20(28)22-19(16)27)15-10-12-4-2-8-25(12)23-15/h1,5-6,10-11,26H,2-4,7-9H2,(H,22,27,28).
What are the key properties of 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 377.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10339558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).