2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

C20H23FN6O2 — CID 122323796

IUPAC2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1nn(-c2ccc(NCCNC(=O)COc3ccccc3F)nn2)c(C)c1C
InChIInChI=1S/C20H23FN6O2/c1-13-14(2)26-27(15(13)3)19-9-8-18(24-25-19)22-10-11-23-20(28)12-29-17-7-5-4-6-16(17)21/h4-9H,10-12H2,1-3H3,(H,22,24)(H,23,28)
InChIKeyLWDZHYRXYKBPJO-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.33
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122323796) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122323796
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1nn(-c2ccc(NCCNC(=O)COc3ccccc3F)nn2)c(C)c1C
InChIInChI=1S/C20H23FN6O2/c1-13-14(2)26-27(15(13)3)19-9-8-18(24-25-19)22-10-11-23-20(28)12-29-17-7-5-4-6-16(17)21/h4-9H,10-12H2,1-3H3,(H,22,24)(H,23,28)
InChIKeyLWDZHYRXYKBPJO-UHFFFAOYSA-N
XLogP2.33
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122323629
4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323625
2-(difluoromethylsulfanyl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323845
2-nitro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122324014
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
1,3,5-trimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122323865
4-propyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiadiazole-5-carboxamide
CID 122323766
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323835
(E)-3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122323633
3-(dimethylamino)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323826
1-thiophen-2-yl-3-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 122324002
(E)-3-(4-chlorophenyl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122323904

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (CID 122323796) is 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is Cc1nn(-c2ccc(NCCNC(=O)COc3ccccc3F)nn2)c(C)c1C.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is LWDZHYRXYKBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-14(2)26-27(15(13)3)19-9-8-18(24-25-19)22-10-11-23-20(28)12-29-17-7-5-4-6-16(17)21/h4-9H,10-12H2,1-3H3,(H,22,24)(H,23,28).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122323796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).