ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

C24H27F4N3O2 — CID 118902410

IUPACethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(CC1CCNC(C(F)(F)F)C1)CC2
InChIInChI=1S/C24H27F4N3O2/c1-2-33-23(32)20-12-19(16-3-5-17(25)6-4-16)18-8-10-31(14-21(18)30-20)13-15-7-9-29-22(11-15)24(26,27)28/h3-6,12,15,22,29H,2,7-11,13-14H2,1H3
InChIKeyGGISFENJPQZECW-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.35
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (PubChem CID 118902410) has the molecular formula C24H27F4N3O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
PubChem CID118902410
Molecular FormulaC24H27F4N3O2
Molecular Weight465.49 g/mol
Exact Mass465.20
IUPAC Nameethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(CC1CCNC(C(F)(F)F)C1)CC2
InChIInChI=1S/C24H27F4N3O2/c1-2-33-23(32)20-12-19(16-3-5-17(25)6-4-16)18-8-10-31(14-21(18)30-20)13-15-7-9-29-22(11-15)24(26,27)28/h3-6,12,15,22,29H,2,7-11,13-14H2,1H3
InChIKeyGGISFENJPQZECW-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (CID 118902410) is ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(CC1CCNC(C(F)(F)F)C1)CC2.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The InChIKey is GGISFENJPQZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O2/c1-2-33-23(32)20-12-19(16-3-5-17(25)6-4-16)18-8-10-31(14-21(18)30-20)13-15-7-9-29-22(11-15)24(26,27)28/h3-6,12,15,22,29H,2,7-11,13-14H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate has a molecular weight of 465.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 118902410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).