1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one

C25H19N5O2S — CID 155347907

IUPAC1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc4scnc4c3)c2n1
InChIInChI=1S/C25H19N5O2S/c1-3-32-23-9-5-16-11-19(15-4-7-20-17(10-15)13-29(2)28-20)25(31)30(24(16)27-23)18-6-8-22-21(12-18)26-14-33-22/h4-14H,3H2,1-2H3
InChIKeyHDPQTEGROMFEGZ-UHFFFAOYSA-N
MW453.53 g/mol
LogP4.95
Rot. Bonds4

About 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one

1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one (PubChem CID 155347907) has the molecular formula C25H19N5O2S and a molecular weight of 453.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
PubChem CID155347907
Molecular FormulaC25H19N5O2S
Molecular Weight453.53 g/mol
Exact Mass453.13
IUPAC Name1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc4scnc4c3)c2n1
InChIInChI=1S/C25H19N5O2S/c1-3-32-23-9-5-16-11-19(15-4-7-20-17(10-15)13-29(2)28-20)25(31)30(24(16)27-23)18-6-8-22-21(12-18)26-14-33-22/h4-14H,3H2,1-2H3
InChIKeyHDPQTEGROMFEGZ-UHFFFAOYSA-N
XLogP4.95
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-ethoxy-3-(2-methylindazol-5-yl)-1-(4-methylphenyl)-1,8-naphthyridin-2-one
CID 164841224
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 155343700
7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
CID 155347900
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
8-bromo-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139536281
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 175731285
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[3-methyl-2-[[methyl(oxetan-3-ylmethyl)amino]methyl]benzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 156805153

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one (CID 155347907) is 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc4scnc4c3)c2n1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The InChIKey is HDPQTEGROMFEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2S/c1-3-32-23-9-5-16-11-19(15-4-7-20-17(10-15)13-29(2)28-20)25(31)30(24(16)27-23)18-6-8-22-21(12-18)26-14-33-22/h4-14H,3H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one has a molecular weight of 453.53 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).