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

C26H23N5O2 — CID 10071760

IUPAC3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCc3ccccc3)c3ncccc23)=C1c1cc2n(n1)CCC2
InChIInChI=1S/C26H23N5O2/c32-25-22(23(26(33)28-25)21-15-18-10-6-14-31(18)29-21)20-16-30(24-19(20)11-4-12-27-24)13-5-9-17-7-2-1-3-8-17/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,28,32,33)
InChIKeyIIMXUPZMXXBLTM-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.38
Rot. Bonds6

About 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 10071760) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID10071760
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCc3ccccc3)c3ncccc23)=C1c1cc2n(n1)CCC2
InChIInChI=1S/C26H23N5O2/c32-25-22(23(26(33)28-25)21-15-18-10-6-14-31(18)29-21)20-16-30(24-19(20)11-4-12-27-24)13-5-9-17-7-2-1-3-8-17/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,28,32,33)
InChIKeyIIMXUPZMXXBLTM-UHFFFAOYSA-N
XLogP3.38
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenylpropyl)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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (CID 10071760) is 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)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-phenylpropyl)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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCc3ccccc3)c3ncccc23)=C1c1cc2n(n1)CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is IIMXUPZMXXBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-25-22(23(26(33)28-25)21-15-18-10-6-14-31(18)29-21)20-16-30(24-19(20)11-4-12-27-24)13-5-9-17-7-2-1-3-8-17/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,28,32,33).
What are the key properties of 3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-[1-(3-phenylpropyl)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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 437.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).