ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C21H21FN4O2 — CID 67971986

IUPACethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1
InChIInChI=1S/C21H21FN4O2/c1-3-28-21(27)26-11-9-19-17(13-26)16(8-10-23-19)18-12-25(2)24-20(18)14-4-6-15(22)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3
InChIKeyWMNJIQFAFSEBJX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.80
Rot. Bonds3

About ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 67971986) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID67971986
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Nameethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1
InChIInChI=1S/C21H21FN4O2/c1-3-28-21(27)26-11-9-19-17(13-26)16(8-10-23-19)18-12-25(2)24-20(18)14-4-6-15(22)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3
InChIKeyWMNJIQFAFSEBJX-UHFFFAOYSA-N
XLogP3.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 67971986) is ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CCOC(=O)N1CCc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1.
What is the InChIKey of ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is WMNJIQFAFSEBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-28-21(27)26-11-9-19-17(13-26)16(8-10-23-19)18-12-25(2)24-20(18)14-4-6-15(22)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 67971986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).