ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate

C18H25FN4O2 — CID 90133993

IUPACethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccc(F)cn1)c1ccn(C)n1
InChIInChI=1S/C18H25FN4O2/c1-3-25-18(24)8-6-4-5-7-12-23(17-11-13-22(2)21-17)16-10-9-15(19)14-20-16/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyJJJGKMNUTBGFCF-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.61
Rot. Bonds10

About ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate

ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate (PubChem CID 90133993) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
PubChem CID90133993
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Nameethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccc(F)cn1)c1ccn(C)n1
InChIInChI=1S/C18H25FN4O2/c1-3-25-18(24)8-6-4-5-7-12-23(17-11-13-22(2)21-17)16-10-9-15(19)14-20-16/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyJJJGKMNUTBGFCF-UHFFFAOYSA-N
XLogP3.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
CID 163254624
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane
CID 158198252
ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348233
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
CID 158284635
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
diethyl icosanedioate
CID 5058538
ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
CID 58545024
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate?
The IUPAC name of ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate (CID 90133993) is ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate?
The canonical SMILES for ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate is CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1ccn(C)n1.
What is the InChIKey of ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate?
The InChIKey is JJJGKMNUTBGFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-3-25-18(24)8-6-4-5-7-12-23(17-11-13-22(2)21-17)16-10-9-15(19)14-20-16/h9-11,13-14H,3-8,12H2,1-2H3.
What are the key properties of ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate?
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate has a molecular weight of 348.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate is sourced from PubChem (CID 90133993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).