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

C19H16ClFN6O — CID 122510890

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H16ClFN6O/c1-10(2)26-9-24-17(11-3-4-13(21)12(20)7-11)18(26)14-5-6-16-23-8-15(19(22)28)27(16)25-14/h3-10H,1-2H3,(H2,22,28)
InChIKeyYMRMXDIZYJCIPL-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.73
Rot. Bonds4

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

6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510890) has the molecular formula C19H16ClFN6O and a molecular weight of 398.83 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510890
Molecular FormulaC19H16ClFN6O
Molecular Weight398.83 g/mol
Exact Mass398.11
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H16ClFN6O/c1-10(2)26-9-24-17(11-3-4-13(21)12(20)7-11)18(26)14-5-6-16-23-8-15(19(22)28)27(16)25-14/h3-10H,1-2H3,(H2,22,28)
InChIKeyYMRMXDIZYJCIPL-UHFFFAOYSA-N
XLogP3.73
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510890) is 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)n1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YMRMXDIZYJCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O/c1-10(2)26-9-24-17(11-3-4-13(21)12(20)7-11)18(26)14-5-6-16-23-8-15(19(22)28)27(16)25-14/h3-10H,1-2H3,(H2,22,28).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).