methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate

C21H24FN3O4 — CID 75466038

IUPACmethyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)CCCCC1
InChIInChI=1S/C21H24FN3O4/c1-29-20(28)13-21(11-5-2-6-12-21)23-18(26)14-25-19(27)10-9-17(24-25)15-7-3-4-8-16(15)22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,23,26)
InChIKeyYYLPVGKTMAUCGM-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.43
Rot. Bonds6

About methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate

methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate (PubChem CID 75466038) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate
PubChem CID75466038
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Namemethyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)CCCCC1
InChIInChI=1S/C21H24FN3O4/c1-29-20(28)13-21(11-5-2-6-12-21)23-18(26)14-25-19(27)10-9-17(24-25)15-7-3-4-8-16(15)22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,23,26)
InChIKeyYYLPVGKTMAUCGM-UHFFFAOYSA-N
XLogP2.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate with MolForge

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Related Compounds

2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899463
(2R,3S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394872
methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
CID 171417986
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 51053788
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043150
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate (CID 75466038) is methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate is COC(=O)CC1(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)CCCCC1.
What is the InChIKey of methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate?
The InChIKey is YYLPVGKTMAUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-29-20(28)13-21(11-5-2-6-12-21)23-18(26)14-25-19(27)10-9-17(24-25)15-7-3-4-8-16(15)22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,23,26).
What are the key properties of methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate?
methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate has a molecular weight of 401.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 75466038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).