(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C17H22N4O3 — CID 91917917

IUPAC(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCCn1nccc1C(=O)N1CCc2nc(OCCOC)ccc2C1
InChIInChI=1S/C17H22N4O3/c1-3-21-15(6-8-18-21)17(22)20-9-7-14-13(12-20)4-5-16(19-14)24-11-10-23-2/h4-6,8H,3,7,9-12H2,1-2H3
InChIKeyVGYBLXSIHHPYHY-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.52
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 91917917) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID91917917
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCCn1nccc1C(=O)N1CCc2nc(OCCOC)ccc2C1
InChIInChI=1S/C17H22N4O3/c1-3-21-15(6-8-18-21)17(22)20-9-7-14-13(12-20)4-5-16(19-14)24-11-10-23-2/h4-6,8H,3,7,9-12H2,1-2H3
InChIKeyVGYBLXSIHHPYHY-UHFFFAOYSA-N
XLogP1.52
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 91917917) is (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CCn1nccc1C(=O)N1CCc2nc(OCCOC)ccc2C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is VGYBLXSIHHPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-21-15(6-8-18-21)17(22)20-9-7-14-13(12-20)4-5-16(19-14)24-11-10-23-2/h4-6,8H,3,7,9-12H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 91917917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).