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

C20H16ClFN6O2 — CID 146401628

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3OC3CCC3)nn12
InChIInChI=1S/C20H16ClFN6O2/c21-13-8-11(4-5-14(13)22)18-19(27(10-25-18)30-12-2-1-3-12)15-6-7-17-24-9-16(20(23)29)28(17)26-15/h4-10,12H,1-3H2,(H2,23,29)
InChIKeyHTJUSGFDZHSUMJ-UHFFFAOYSA-N
MW426.84 g/mol
LogP3.13
Rot. Bonds5

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

6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 146401628) has the molecular formula C20H16ClFN6O2 and a molecular weight of 426.84 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID146401628
Molecular FormulaC20H16ClFN6O2
Molecular Weight426.84 g/mol
Exact Mass426.10
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3OC3CCC3)nn12
InChIInChI=1S/C20H16ClFN6O2/c21-13-8-11(4-5-14(13)22)18-19(27(10-25-18)30-12-2-1-3-12)15-6-7-17-24-9-16(20(23)29)28(17)26-15/h4-10,12H,1-3H2,(H2,23,29)
InChIKeyHTJUSGFDZHSUMJ-UHFFFAOYSA-N
XLogP3.13
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 146401628) is 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3OC3CCC3)nn12.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HTJUSGFDZHSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O2/c21-13-8-11(4-5-14(13)22)18-19(27(10-25-18)30-12-2-1-3-12)15-6-7-17-24-9-16(20(23)29)28(17)26-15/h4-10,12H,1-3H2,(H2,23,29).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 426.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 146401628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).