6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide

C16H15ClN4O — CID 87051214

IUPAC6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cn3nc(Cl)ccc3n2)cc1C
InChIInChI=1S/C16H15ClN4O/c1-10-3-4-12(7-11(10)2)8-18-16(22)13-9-21-15(19-13)6-5-14(17)20-21/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeyFSAVGKAXWPOUSW-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.93
Rot. Bonds3

About 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide

6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051214) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051214
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cn3nc(Cl)ccc3n2)cc1C
InChIInChI=1S/C16H15ClN4O/c1-10-3-4-12(7-11(10)2)8-18-16(22)13-9-21-15(19-13)6-5-14(17)20-21/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeyFSAVGKAXWPOUSW-UHFFFAOYSA-N
XLogP2.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 87051214) is 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide is Cc1ccc(CNC(=O)c2cn3nc(Cl)ccc3n2)cc1C.
What is the InChIKey of 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is FSAVGKAXWPOUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-10-3-4-12(7-11(10)2)8-18-16(22)13-9-21-15(19-13)6-5-14(17)20-21/h3-7,9H,8H2,1-2H3,(H,18,22).
What are the key properties of 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).