8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide

C21H19N5O2 — CID 69177201

IUPAC8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cnn2c(C(=O)NCc3ccccc3)cnc2c1Nc1ccccc1
InChIInChI=1S/C21H19N5O2/c1-28-18-14-24-26-17(21(27)23-12-15-8-4-2-5-9-15)13-22-20(26)19(18)25-16-10-6-3-7-11-16/h2-11,13-14,25H,12H2,1H3,(H,23,27)
InChIKeyAPZBMIPAOTXKCF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.41
Rot. Bonds6

About 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide

8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 69177201) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID69177201
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cnn2c(C(=O)NCc3ccccc3)cnc2c1Nc1ccccc1
InChIInChI=1S/C21H19N5O2/c1-28-18-14-24-26-17(21(27)23-12-15-8-4-2-5-9-15)13-22-20(26)19(18)25-16-10-6-3-7-11-16/h2-11,13-14,25H,12H2,1H3,(H,23,27)
InChIKeyAPZBMIPAOTXKCF-UHFFFAOYSA-N
XLogP3.41
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
CID 142737210
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 162475361
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842

Frequently Asked Questions

What is the IUPAC name of 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (CID 69177201) is 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is COc1cnn2c(C(=O)NCc3ccccc3)cnc2c1Nc1ccccc1.
What is the InChIKey of 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is APZBMIPAOTXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-18-14-24-26-17(21(27)23-12-15-8-4-2-5-9-15)13-22-20(26)19(18)25-16-10-6-3-7-11-16/h2-11,13-14,25H,12H2,1H3,(H,23,27).
What are the key properties of 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 69177201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).