2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine

C24H20F3N5O — CID 169081985

IUPAC2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine
SMILESCCOc1ccc2c(n1)C(c1ccc(C(F)(F)F)nc1)=CN(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C24H20F3N5O/c1-3-33-22-9-5-16-13-32(18-6-7-20-17(10-18)12-31(2)30-20)14-19(23(16)29-22)15-4-8-21(28-11-15)24(25,26)27/h4-12,14H,3,13H2,1-2H3
InChIKeyIEIJEFUUONDFGP-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.19
Rot. Bonds4

About 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine

2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine (PubChem CID 169081985) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine
PubChem CID169081985
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine
SMILESCCOc1ccc2c(n1)C(c1ccc(C(F)(F)F)nc1)=CN(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C24H20F3N5O/c1-3-33-22-9-5-16-13-32(18-6-7-20-17(10-18)12-31(2)30-20)14-19(23(16)29-22)15-4-8-21(28-11-15)24(25,26)27/h4-12,14H,3,13H2,1-2H3
InChIKeyIEIJEFUUONDFGP-UHFFFAOYSA-N
XLogP5.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine?
The IUPAC name of 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine (CID 169081985) is 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine.
What is the SMILES notation for 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine?
The canonical SMILES for 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine is CCOc1ccc2c(n1)C(c1ccc(C(F)(F)F)nc1)=CN(c1ccc3nn(C)cc3c1)C2.
What is the InChIKey of 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine?
The InChIKey is IEIJEFUUONDFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-3-33-22-9-5-16-13-32(18-6-7-20-17(10-18)12-31(2)30-20)14-19(23(16)29-22)15-4-8-21(28-11-15)24(25,26)27/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine?
2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine has a molecular weight of 451.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(2-methylindazol-5-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]-5H-1,6-naphthyridine is sourced from PubChem (CID 169081985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).