4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

C25H22N6O — CID 141429638

IUPAC4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5cccnn45)cn3)c2)cc1
InChIInChI=1S/C25H22N6O/c1-3-18-7-9-19(10-8-18)25(32)29-21-11-6-17(2)22(13-21)30-16-20(14-28-30)23-15-26-24-5-4-12-27-31(23)24/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyYJQOQJNKFYBZOV-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.71
Rot. Bonds5

About 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (PubChem CID 141429638) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
PubChem CID141429638
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5cccnn45)cn3)c2)cc1
InChIInChI=1S/C25H22N6O/c1-3-18-7-9-19(10-8-18)25(32)29-21-11-6-17(2)22(13-21)30-16-20(14-28-30)23-15-26-24-5-4-12-27-31(23)24/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyYJQOQJNKFYBZOV-UHFFFAOYSA-N
XLogP4.71
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 165113804
N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 165113796
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
3-[4-(1-fluoro-1-iodoethyl)phenyl]-N-[4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]phenyl]benzamide
CID 166921846
5-imidazo[1,2-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67891392
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(4-ethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277196
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (CID 141429638) is 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5cccnn45)cn3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The InChIKey is YJQOQJNKFYBZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-3-18-7-9-19(10-8-18)25(32)29-21-11-6-17(2)22(13-21)30-16-20(14-28-30)23-15-26-24-5-4-12-27-31(23)24/h4-16H,3H2,1-2H3,(H,29,32).
What are the key properties of 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 141429638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).