7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one

C24H18F3N5O2 — CID 155343700

IUPAC7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(C(F)(F)F)nc3)c2n1
InChIInChI=1S/C24H18F3N5O2/c1-3-34-21-9-5-15-11-18(14-4-7-19-16(10-14)13-31(2)30-19)23(33)32(22(15)29-21)17-6-8-20(28-12-17)24(25,26)27/h4-13H,3H2,1-2H3
InChIKeyNMNFDOFBJCZABV-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.75
Rot. Bonds4

About 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one

7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one (PubChem CID 155343700) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
PubChem CID155343700
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(C(F)(F)F)nc3)c2n1
InChIInChI=1S/C24H18F3N5O2/c1-3-34-21-9-5-15-11-18(14-4-7-19-16(10-14)13-31(2)30-19)23(33)32(22(15)29-21)17-6-8-20(28-12-17)24(25,26)27/h4-13H,3H2,1-2H3
InChIKeyNMNFDOFBJCZABV-UHFFFAOYSA-N
XLogP4.75
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one?
The IUPAC name of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one (CID 155343700) is 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(C(F)(F)F)nc3)c2n1.
What is the InChIKey of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one?
The InChIKey is NMNFDOFBJCZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-3-34-21-9-5-15-11-18(14-4-7-19-16(10-14)13-31(2)30-19)23(33)32(22(15)29-21)17-6-8-20(28-12-17)24(25,26)27/h4-13H,3H2,1-2H3.
What are the key properties of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one?
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one has a molecular weight of 465.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 155343700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).