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

C25H24N6O2 — CID 155347900

IUPAC7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
SMILESCCNc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3ccc(OCC)nc32)cn1
InChIInChI=1S/C25H24N6O2/c1-4-26-22-10-8-19(14-27-22)31-24-17(7-11-23(28-24)33-5-2)13-20(25(31)32)16-6-9-21-18(12-16)15-30(3)29-21/h6-15H,4-5H2,1-3H3,(H,26,27)
InChIKeyGZJWAHGHDBFHGL-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.16
Rot. Bonds6

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

7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one (PubChem CID 155347900) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
PubChem CID155347900
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
SMILESCCNc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3ccc(OCC)nc32)cn1
InChIInChI=1S/C25H24N6O2/c1-4-26-22-10-8-19(14-27-22)31-24-17(7-11-23(28-24)33-5-2)13-20(25(31)32)16-6-9-21-18(12-16)15-30(3)29-21/h6-15H,4-5H2,1-3H3,(H,26,27)
InChIKeyGZJWAHGHDBFHGL-UHFFFAOYSA-N
XLogP4.16
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one (CID 155347900) is 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one is CCNc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3ccc(OCC)nc32)cn1.
What is the InChIKey of 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
The InChIKey is GZJWAHGHDBFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-4-26-22-10-8-19(14-27-22)31-24-17(7-11-23(28-24)33-5-2)13-20(25(31)32)16-6-9-21-18(12-16)15-30(3)29-21/h6-15H,4-5H2,1-3H3,(H,26,27).
What are the key properties of 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one?
7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one has a molecular weight of 440.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-[6-(ethylamino)-3-pyridinyl]-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).