2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

C20H21N5O2 — CID 122307126

IUPAC2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NC(=O)CC4CC4)cc3)nn2)c1C
InChIInChI=1S/C20H21N5O2/c1-13-14(2)25(12-21-13)18-9-10-20(24-23-18)27-17-7-5-16(6-8-17)22-19(26)11-15-3-4-15/h5-10,12,15H,3-4,11H2,1-2H3,(H,22,26)
InChIKeyHQWQGJMQMSWOQK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.81
Rot. Bonds6

About 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 122307126) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
PubChem CID122307126
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NC(=O)CC4CC4)cc3)nn2)c1C
InChIInChI=1S/C20H21N5O2/c1-13-14(2)25(12-21-13)18-9-10-20(24-23-18)27-17-7-5-16(6-8-17)22-19(26)11-15-3-4-15/h5-10,12,15H,3-4,11H2,1-2H3,(H,22,26)
InChIKeyHQWQGJMQMSWOQK-UHFFFAOYSA-N
XLogP3.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122306878
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122307152
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122307141
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122307035
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pentoxybenzamide
CID 122307143
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122306959
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methoxybenzamide
CID 122306895
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]quinoline-2-carboxamide
CID 122307057
2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide
CID 122306929
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 122307134
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(trifluoromethoxy)benzamide
CID 122307129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (CID 122307126) is 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is Cc1ncn(-c2ccc(Oc3ccc(NC(=O)CC4CC4)cc3)nn2)c1C.
What is the InChIKey of 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The InChIKey is HQWQGJMQMSWOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-14(2)25(12-21-13)18-9-10-20(24-23-18)27-17-7-5-16(6-8-17)22-19(26)11-15-3-4-15/h5-10,12,15H,3-4,11H2,1-2H3,(H,22,26).
What are the key properties of 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122307126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).