N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide

C15H13FN4O2 — CID 53166432

IUPACN-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3cccc(F)c3)cn2n1
InChIInChI=1S/C15H13FN4O2/c1-22-14-6-5-13-18-12(9-20(13)19-14)15(21)17-8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyLAJOYDHOFIOBKE-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.81
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide

N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 53166432) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID53166432
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3cccc(F)c3)cn2n1
InChIInChI=1S/C15H13FN4O2/c1-22-14-6-5-13-18-12(9-20(13)19-14)15(21)17-8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyLAJOYDHOFIOBKE-UHFFFAOYSA-N
XLogP1.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051109
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 53014545
6-ethoxy-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051087
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051214
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide (CID 53166432) is N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide is COc1ccc2nc(C(=O)NCc3cccc(F)c3)cn2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is LAJOYDHOFIOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-22-14-6-5-13-18-12(9-20(13)19-14)15(21)17-8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 53166432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).