5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole

C15H12IN3 — CID 67959733

IUPAC5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole
SMILESIc1c[nH]c2ccc(-c3cncc(C4CC4)n3)cc12
InChIInChI=1S/C15H12IN3/c16-12-6-18-13-4-3-10(5-11(12)13)15-8-17-7-14(19-15)9-1-2-9/h3-9,18H,1-2H2
InChIKeyHMXUHXKMTNGFQL-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.11
Rot. Bonds2

About 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole

5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole (PubChem CID 67959733) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole.

Molecular Properties

Compound Name5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole
PubChem CID67959733
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole
SMILESIc1c[nH]c2ccc(-c3cncc(C4CC4)n3)cc12
InChIInChI=1S/C15H12IN3/c16-12-6-18-13-4-3-10(5-11(12)13)15-8-17-7-14(19-15)9-1-2-9/h3-9,18H,1-2H2
InChIKeyHMXUHXKMTNGFQL-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole?
The IUPAC name of 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole (CID 67959733) is 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole.
What is the SMILES notation for 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole?
The canonical SMILES for 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole is Ic1c[nH]c2ccc(-c3cncc(C4CC4)n3)cc12.
What is the InChIKey of 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole?
The InChIKey is HMXUHXKMTNGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c16-12-6-18-13-4-3-10(5-11(12)13)15-8-17-7-14(19-15)9-1-2-9/h3-9,18H,1-2H2.
What are the key properties of 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole?
5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole has a molecular weight of 361.19 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole is sourced from PubChem (CID 67959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).