7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

C9H6IN5 — CID 90104537

IUPAC7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESIc1c[nH]c2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C9H6IN5/c10-6-3-11-9-8(6)15-7(4-12-9)5-1-13-14-2-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyFKALDXCZNHYWFK-UHFFFAOYSA-N
MW311.09 g/mol
LogP1.95
Rot. Bonds1

About 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90104537) has the molecular formula C9H6IN5 and a molecular weight of 311.09 g/mol. Its IUPAC name is 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90104537
Molecular FormulaC9H6IN5
Molecular Weight311.09 g/mol
Exact Mass310.97
IUPAC Name7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESIc1c[nH]c2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C9H6IN5/c10-6-3-11-9-8(6)15-7(4-12-9)5-1-13-14-2-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyFKALDXCZNHYWFK-UHFFFAOYSA-N
XLogP1.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 90104537) is 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is Ic1c[nH]c2ncc(-c3cn[nH]c3)nc12.
What is the InChIKey of 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is FKALDXCZNHYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN5/c10-6-3-11-9-8(6)15-7(4-12-9)5-1-13-14-2-5/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 311.09 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).