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

C19H15F3N6O — CID 122510968

IUPAC6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)
InChIKeySIZBLFUPLWZTQX-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.15
Rot. Bonds5

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

6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510968) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510968
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)
InChIKeySIZBLFUPLWZTQX-UHFFFAOYSA-N
XLogP3.15
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510968) is 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SIZBLFUPLWZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29).
What are the key properties of 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).