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

C20H15F3N6O — CID 122510699

IUPAC6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)nn12
InChIInChI=1S/C20H15F3N6O/c21-12-3-1-11(2-4-12)17-18(28(10-26-17)13-7-20(22,23)8-13)14-5-6-16-25-9-15(19(24)30)29(16)27-14/h1-6,9-10,13H,7-8H2,(H2,24,30)
InChIKeyFKAOOXULXXUYOX-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.47
Rot. Bonds4

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

6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510699) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510699
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)nn12
InChIInChI=1S/C20H15F3N6O/c21-12-3-1-11(2-4-12)17-18(28(10-26-17)13-7-20(22,23)8-13)14-5-6-16-25-9-15(19(24)30)29(16)27-14/h1-6,9-10,13H,7-8H2,(H2,24,30)
InChIKeyFKAOOXULXXUYOX-UHFFFAOYSA-N
XLogP3.47
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510699) is 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC(F)(F)C3)nn12.
What is the InChIKey of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FKAOOXULXXUYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-12-3-1-11(2-4-12)17-18(28(10-26-17)13-7-20(22,23)8-13)14-5-6-16-25-9-15(19(24)30)29(16)27-14/h1-6,9-10,13H,7-8H2,(H2,24,30).
What are the key properties of 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 412.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).