6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C18H14F2N6O — CID 122510790

IUPAC6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCF)nn12
InChIInChI=1S/C18H14F2N6O/c19-7-8-25-10-23-16(11-1-3-12(20)4-2-11)17(25)13-5-6-15-22-9-14(18(21)27)26(15)24-13/h1-6,9-10H,7-8H2,(H2,21,27)
InChIKeyWZSHKAWTTZBHSJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.47
Rot. Bonds5

About 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510790) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510790
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCF)nn12
InChIInChI=1S/C18H14F2N6O/c19-7-8-25-10-23-16(11-1-3-12(20)4-2-11)17(25)13-5-6-15-22-9-14(18(21)27)26(15)24-13/h1-6,9-10H,7-8H2,(H2,21,27)
InChIKeyWZSHKAWTTZBHSJ-UHFFFAOYSA-N
XLogP2.47
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510790) is 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCF)nn12.
What is the InChIKey of 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WZSHKAWTTZBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c19-7-8-25-10-23-16(11-1-3-12(20)4-2-11)17(25)13-5-6-15-22-9-14(18(21)27)26(15)24-13/h1-6,9-10H,7-8H2,(H2,21,27).
What are the key properties of 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).