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

C19H15FN6O2 — CID 122510607

IUPAC6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)nn12
InChIInChI=1S/C19H15FN6O2/c20-12-3-1-11(2-4-12)17-18(25(10-23-17)13-8-28-9-13)14-5-6-16-22-7-15(19(21)27)26(16)24-14/h1-7,10,13H,8-9H2,(H2,21,27)
InChIKeyDWILMNRQVIXPIP-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.07
Rot. Bonds4

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

6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510607) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510607
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)nn12
InChIInChI=1S/C19H15FN6O2/c20-12-3-1-11(2-4-12)17-18(25(10-23-17)13-8-28-9-13)14-5-6-16-22-7-15(19(21)27)26(16)24-14/h1-7,10,13H,8-9H2,(H2,21,27)
InChIKeyDWILMNRQVIXPIP-UHFFFAOYSA-N
XLogP2.07
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510607) is 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)nn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DWILMNRQVIXPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-12-3-1-11(2-4-12)17-18(25(10-23-17)13-8-28-9-13)14-5-6-16-22-7-15(19(21)27)26(16)24-14/h1-7,10,13H,8-9H2,(H2,21,27).
What are the key properties of 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).