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

C19H17FN6O — CID 122510568

IUPAC6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H17FN6O/c1-11(2)25-10-23-17(12-3-5-13(20)6-4-12)18(25)14-7-8-16-22-9-15(19(21)27)26(16)24-14/h3-11H,1-2H3,(H2,21,27)
InChIKeyVVWPOXCVDNYFIL-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.08
Rot. Bonds4

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

6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510568) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510568
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H17FN6O/c1-11(2)25-10-23-17(12-3-5-13(20)6-4-12)18(25)14-7-8-16-22-9-15(19(21)27)26(16)24-14/h3-11H,1-2H3,(H2,21,27)
InChIKeyVVWPOXCVDNYFIL-UHFFFAOYSA-N
XLogP3.08
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510568) is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VVWPOXCVDNYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-11(2)25-10-23-17(12-3-5-13(20)6-4-12)18(25)14-7-8-16-22-9-15(19(21)27)26(16)24-14/h3-11H,1-2H3,(H2,21,27).
What are the key properties of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.08, 4 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-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).