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

C14H10ClF2N5 — CID 135186354

IUPAC5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
SMILESFC(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1
InChIInChI=1S/C14H10ClF2N5/c15-11-4-3-9-14(20-11)22(8-1-2-8)13(19-9)7-5-10(12(16)17)21-18-6-7/h3-6,8,12H,1-2H2
InChIKeyCPOQRZLUNVSDTE-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.81
Rot. Bonds3

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

5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 135186354) has the molecular formula C14H10ClF2N5 and a molecular weight of 321.72 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
PubChem CID135186354
Molecular FormulaC14H10ClF2N5
Molecular Weight321.72 g/mol
Exact Mass321.06
IUPAC Name5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
SMILESFC(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1
InChIInChI=1S/C14H10ClF2N5/c15-11-4-3-9-14(20-11)22(8-1-2-8)13(19-9)7-5-10(12(16)17)21-18-6-7/h3-6,8,12H,1-2H2
InChIKeyCPOQRZLUNVSDTE-UHFFFAOYSA-N
XLogP3.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.81
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-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine (CID 135186354) is 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine is FC(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1.
What is the InChIKey of 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is CPOQRZLUNVSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5/c15-11-4-3-9-14(20-11)22(8-1-2-8)13(19-9)7-5-10(12(16)17)21-18-6-7/h3-6,8,12H,1-2H2.
What are the key properties of 5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
5-chloro-3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 321.72 g/mol, XLogP of 3.81, 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-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 135186354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).