3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide

C16H14ClFN4O — CID 118875377

IUPAC3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCCNC(=O)c1nc2cccnn2c1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H14ClFN4O/c1-2-5-19-16(23)14-15(10-7-11(17)9-12(18)8-10)22-13(21-14)4-3-6-20-22/h3-4,6-9H,2,5H2,1H3,(H,19,23)
InChIKeySRLHMGKYTUHFKW-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.33
Rot. Bonds4

About 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide

3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118875377) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118875377
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCCNC(=O)c1nc2cccnn2c1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H14ClFN4O/c1-2-5-19-16(23)14-15(10-7-11(17)9-12(18)8-10)22-13(21-14)4-3-6-20-22/h3-4,6-9H,2,5H2,1H3,(H,19,23)
InChIKeySRLHMGKYTUHFKW-UHFFFAOYSA-N
XLogP3.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide (CID 118875377) is 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide is CCCNC(=O)c1nc2cccnn2c1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is SRLHMGKYTUHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-2-5-19-16(23)14-15(10-7-11(17)9-12(18)8-10)22-13(21-14)4-3-6-20-22/h3-4,6-9H,2,5H2,1H3,(H,19,23).
What are the key properties of 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 332.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-N-propylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118875377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).