5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine

C16H14ClN5 — CID 135186304

IUPAC5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine
SMILESClc1ccc2nc(-c3cnnc(C4CC4)c3)n(C3CC3)c2n1
InChIInChI=1S/C16H14ClN5/c17-14-6-5-12-16(20-14)22(11-3-4-11)15(19-12)10-7-13(9-1-2-9)21-18-8-10/h5-9,11H,1-4H2
InChIKeyVSWYJFLOCACQIA-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.75
Rot. Bonds3

About 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine

5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine (PubChem CID 135186304) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine
PubChem CID135186304
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine
SMILESClc1ccc2nc(-c3cnnc(C4CC4)c3)n(C3CC3)c2n1
InChIInChI=1S/C16H14ClN5/c17-14-6-5-12-16(20-14)22(11-3-4-11)15(19-12)10-7-13(9-1-2-9)21-18-8-10/h5-9,11H,1-4H2
InChIKeyVSWYJFLOCACQIA-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine (CID 135186304) is 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine is Clc1ccc2nc(-c3cnnc(C4CC4)c3)n(C3CC3)c2n1.
What is the InChIKey of 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is VSWYJFLOCACQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-14-6-5-12-16(20-14)22(11-3-4-11)15(19-12)10-7-13(9-1-2-9)21-18-8-10/h5-9,11H,1-4H2.
What are the key properties of 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine?
5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 311.78 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 135186304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).