6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide

C21H18FN5O2 — CID 66940874

IUPAC6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C21H18FN5O2/c1-29-17-8-6-16(7-9-17)25-21(28)18-13-24-20-11-10-19(26-27(18)20)23-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,23,26)(H,25,28)
InChIKeyAKJQRKZXAWMKIK-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.74
Rot. Bonds6

About 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66940874) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID66940874
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C21H18FN5O2/c1-29-17-8-6-16(7-9-17)25-21(28)18-13-24-20-11-10-19(26-27(18)20)23-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,23,26)(H,25,28)
InChIKeyAKJQRKZXAWMKIK-UHFFFAOYSA-N
XLogP3.74
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide
CID 66940925
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 20957275
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 154693169
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 66940874) is 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(NC(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AKJQRKZXAWMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-29-17-8-6-16(7-9-17)25-21(28)18-13-24-20-11-10-19(26-27(18)20)23-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,23,26)(H,25,28).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66940874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).