2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C16H13IN4 — CID 137376192

IUPAC2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(-c3ccc4c(c3)c(I)cn4C)nc12
InChIInChI=1S/C16H13IN4/c1-10-4-3-7-21-16(10)18-15(19-21)11-5-6-14-12(8-11)13(17)9-20(14)2/h3-9H,1-2H3
InChIKeyWUXICAHGBHXICD-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.80
Rot. Bonds1

About 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 137376192) has the molecular formula C16H13IN4 and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID137376192
Molecular FormulaC16H13IN4
Molecular Weight388.21 g/mol
Exact Mass388.02
IUPAC Name2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(-c3ccc4c(c3)c(I)cn4C)nc12
InChIInChI=1S/C16H13IN4/c1-10-4-3-7-21-16(10)18-15(19-21)11-5-6-14-12(8-11)13(17)9-20(14)2/h3-9H,1-2H3
InChIKeyWUXICAHGBHXICD-UHFFFAOYSA-N
XLogP3.80
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 137376192) is 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2nc(-c3ccc4c(c3)c(I)cn4C)nc12.
What is the InChIKey of 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WUXICAHGBHXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4/c1-10-4-3-7-21-16(10)18-15(19-21)11-5-6-14-12(8-11)13(17)9-20(14)2/h3-9H,1-2H3.
What are the key properties of 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 388.21 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 137376192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).