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

C18H14ClFN6O — CID 122510909

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C18H14ClFN6O/c1-2-25-9-23-16(10-3-4-12(20)11(19)7-10)17(25)13-5-6-15-22-8-14(18(21)27)26(15)24-13/h3-9H,2H2,1H3,(H2,21,27)
InChIKeyDDYHDWTZPPIKCF-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.17
Rot. Bonds4

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

6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510909) has the molecular formula C18H14ClFN6O and a molecular weight of 384.80 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510909
Molecular FormulaC18H14ClFN6O
Molecular Weight384.80 g/mol
Exact Mass384.09
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C18H14ClFN6O/c1-2-25-9-23-16(10-3-4-12(20)11(19)7-10)17(25)13-5-6-15-22-8-14(18(21)27)26(15)24-13/h3-9H,2H2,1H3,(H2,21,27)
InChIKeyDDYHDWTZPPIKCF-UHFFFAOYSA-N
XLogP3.17
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.17
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-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510909) is 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DDYHDWTZPPIKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O/c1-2-25-9-23-16(10-3-4-12(20)11(19)7-10)17(25)13-5-6-15-22-8-14(18(21)27)26(15)24-13/h3-9H,2H2,1H3,(H2,21,27).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 384.80 g/mol, XLogP of 3.17, 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-ethylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).