ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

C22H23F2N5O2 — CID 118902529

IUPACethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)CN(C(C)c1cnnn1C)CC2
InChIInChI=1S/C22H23F2N5O2/c1-4-31-22(30)19-10-17(15-6-5-14(23)9-18(15)24)16-7-8-29(12-20(16)26-19)13(2)21-11-25-27-28(21)3/h5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyDHEDPOYUIJATKG-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.45
Rot. Bonds5

About ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (PubChem CID 118902529) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
PubChem CID118902529
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Nameethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)CN(C(C)c1cnnn1C)CC2
InChIInChI=1S/C22H23F2N5O2/c1-4-31-22(30)19-10-17(15-6-5-14(23)9-18(15)24)16-7-8-29(12-20(16)26-19)13(2)21-11-25-27-28(21)3/h5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyDHEDPOYUIJATKG-UHFFFAOYSA-N
XLogP3.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (CID 118902529) is ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)CN(C(C)c1cnnn1C)CC2.
What is the InChIKey of ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The InChIKey is DHEDPOYUIJATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-4-31-22(30)19-10-17(15-6-5-14(23)9-18(15)24)16-7-8-29(12-20(16)26-19)13(2)21-11-25-27-28(21)3/h5-6,9-11,13H,4,7-8,12H2,1-3H3.
What are the key properties of ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate has a molecular weight of 427.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-difluorophenyl)-7-[1-(3-methyltriazol-4-yl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 118902529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).