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

C21H21FN6O2 — CID 122510562

IUPAC6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C21H21FN6O2/c1-21(2,30)9-10-27-12-25-18(13-3-5-14(22)6-4-13)19(27)15-7-8-17-24-11-16(20(23)29)28(17)26-15/h3-8,11-12,30H,9-10H2,1-2H3,(H2,23,29)
InChIKeyNGFQAVLDGQLYNQ-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.66
Rot. Bonds6

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

6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510562) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510562
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C21H21FN6O2/c1-21(2,30)9-10-27-12-25-18(13-3-5-14(22)6-4-13)19(27)15-7-8-17-24-11-16(20(23)29)28(17)26-15/h3-8,11-12,30H,9-10H2,1-2H3,(H2,23,29)
InChIKeyNGFQAVLDGQLYNQ-UHFFFAOYSA-N
XLogP2.66
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510562) is 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)(O)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NGFQAVLDGQLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-21(2,30)9-10-27-12-25-18(13-3-5-14(22)6-4-13)19(27)15-7-8-17-24-11-16(20(23)29)28(17)26-15/h3-8,11-12,30H,9-10H2,1-2H3,(H2,23,29).
What are the key properties of 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(3-hydroxy-3-methylbutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).