6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

C12H15IN4 — CID 69074163

IUPAC6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESIc1cnc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C12H15IN4/c13-10-7-11-12(14-8-10)17(9-15-11)6-5-16-3-1-2-4-16/h7-9H,1-6H2
InChIKeyBHYYXJPKFBDKEM-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.13
Rot. Bonds3

About 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 69074163) has the molecular formula C12H15IN4 and a molecular weight of 342.18 g/mol. Its IUPAC name is 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID69074163
Molecular FormulaC12H15IN4
Molecular Weight342.18 g/mol
Exact Mass342.03
IUPAC Name6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESIc1cnc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C12H15IN4/c13-10-7-11-12(14-8-10)17(9-15-11)6-5-16-3-1-2-4-16/h7-9H,1-6H2
InChIKeyBHYYXJPKFBDKEM-UHFFFAOYSA-N
XLogP2.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.13
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 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (CID 69074163) is 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is Ic1cnc2c(c1)ncn2CCN1CCCC1.
What is the InChIKey of 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is BHYYXJPKFBDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4/c13-10-7-11-12(14-8-10)17(9-15-11)6-5-16-3-1-2-4-16/h7-9H,1-6H2.
What are the key properties of 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 342.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 69074163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).