2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide

C27H23N5O3 — CID 122305176

IUPAC2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C27H23N5O3/c1-3-34-23-13-8-19-6-4-5-7-22(19)26(23)27(33)28-20-9-11-21(12-10-20)35-25-15-14-24(29-30-25)32-17-16-18(2)31-32/h4-17H,3H2,1-2H3,(H,28,33)
InChIKeyZIHVBLZMVNUGGN-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.57
Rot. Bonds7

About 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide

2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide (PubChem CID 122305176) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide
PubChem CID122305176
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C27H23N5O3/c1-3-34-23-13-8-19-6-4-5-7-22(19)26(23)27(33)28-20-9-11-21(12-10-20)35-25-15-14-24(29-30-25)32-17-16-18(2)31-32/h4-17H,3H2,1-2H3,(H,28,33)
InChIKeyZIHVBLZMVNUGGN-UHFFFAOYSA-N
XLogP5.57
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
2-ethoxy-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-carboxamide
CID 122309380
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122312781
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-ethoxynaphthalene-1-carboxamide
CID 122313915
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide (CID 122305176) is 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide?
The InChIKey is ZIHVBLZMVNUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-3-34-23-13-8-19-6-4-5-7-22(19)26(23)27(33)28-20-9-11-21(12-10-20)35-25-15-14-24(29-30-25)32-17-16-18(2)31-32/h4-17H,3H2,1-2H3,(H,28,33).
What are the key properties of 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide?
2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122305176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).