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

C17H13FN6O — CID 122510893

IUPAC6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C17H13FN6O/c1-23-9-21-15(10-2-4-11(18)5-3-10)16(23)12-6-7-14-20-8-13(17(19)25)24(14)22-12/h2-9H,1H3,(H2,19,25)
InChIKeyORNNTDFLNDWYJV-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.03
Rot. Bonds3

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

6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510893) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510893
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C17H13FN6O/c1-23-9-21-15(10-2-4-11(18)5-3-10)16(23)12-6-7-14-20-8-13(17(19)25)24(14)22-12/h2-9H,1H3,(H2,19,25)
InChIKeyORNNTDFLNDWYJV-UHFFFAOYSA-N
XLogP2.03
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(4-fluorophenyl)-3-(1-formylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 145149041
6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162614929
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146401628
6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139527802
6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510483
6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122478550
6-[3-[(2R)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159213641
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510459
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
CID 145149136
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510893) is 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ORNNTDFLNDWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-23-9-21-15(10-2-4-11(18)5-3-10)16(23)12-6-7-14-20-8-13(17(19)25)24(14)22-12/h2-9H,1H3,(H2,19,25).
What are the key properties of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).