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

C19H16ClFN6O2 — CID 122510484

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H16ClFN6O2/c1-29-7-6-26-10-24-17(11-2-3-13(21)12(20)8-11)18(26)14-4-5-16-23-9-15(19(22)28)27(16)25-14/h2-5,8-10H,6-7H2,1H3,(H2,22,28)
InChIKeyNGYILYGTZDVRJX-UHFFFAOYSA-N
MW414.83 g/mol
LogP2.80
Rot. Bonds6

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

6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510484) has the molecular formula C19H16ClFN6O2 and a molecular weight of 414.83 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510484
Molecular FormulaC19H16ClFN6O2
Molecular Weight414.83 g/mol
Exact Mass414.10
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H16ClFN6O2/c1-29-7-6-26-10-24-17(11-2-3-13(21)12(20)8-11)18(26)14-4-5-16-23-9-15(19(22)28)27(16)25-14/h2-5,8-10H,6-7H2,1H3,(H2,22,28)
InChIKeyNGYILYGTZDVRJX-UHFFFAOYSA-N
XLogP2.80
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 52.80
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-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510484) is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is COCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NGYILYGTZDVRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O2/c1-29-7-6-26-10-24-17(11-2-3-13(21)12(20)8-11)18(26)14-4-5-16-23-9-15(19(22)28)27(16)25-14/h2-5,8-10H,6-7H2,1H3,(H2,22,28).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 414.83 g/mol, XLogP of 2.80, 6 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-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).