3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

C17H14ClFN4O — CID 126700156

IUPAC3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCN(C(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C17H14ClFN4O/c1-22(11-5-6-11)17(24)15-16(10-4-7-12(18)13(19)9-10)23-14(21-15)3-2-8-20-23/h2-4,7-9,11H,5-6H2,1H3
InChIKeyVTRNMYGATDHWOK-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.42
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 126700156) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID126700156
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCN(C(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C17H14ClFN4O/c1-22(11-5-6-11)17(24)15-16(10-4-7-12(18)13(19)9-10)23-14(21-15)3-2-8-20-23/h2-4,7-9,11H,5-6H2,1H3
InChIKeyVTRNMYGATDHWOK-UHFFFAOYSA-N
XLogP3.42
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (CID 126700156) is 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is CN(C(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1)C1CC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is VTRNMYGATDHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-22(11-5-6-11)17(24)15-16(10-4-7-12(18)13(19)9-10)23-14(21-15)3-2-8-20-23/h2-4,7-9,11H,5-6H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 126700156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).