2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide

C22H25N5O3 — CID 92628319

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(OCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)nn2)n1
InChIInChI=1S/C22H25N5O3/c1-14-9-15(2)27(25-14)20-7-8-21(24-23-20)29-13-22(28)26(4)12-17-5-6-19-18(11-17)10-16(3)30-19/h5-9,11,16H,10,12-13H2,1-4H3/t16-/m0/s1
InChIKeyOYEVGIKPPXYSGJ-INIZCTEOSA-N
MW407.47 g/mol
LogP2.64
Rot. Bonds6

About 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide

2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide (PubChem CID 92628319) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide
PubChem CID92628319
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(OCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)nn2)n1
InChIInChI=1S/C22H25N5O3/c1-14-9-15(2)27(25-14)20-7-8-21(24-23-20)29-13-22(28)26(4)12-17-5-6-19-18(11-17)10-16(3)30-19/h5-9,11,16H,10,12-13H2,1-4H3/t16-/m0/s1
InChIKeyOYEVGIKPPXYSGJ-INIZCTEOSA-N
XLogP2.64
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide (CID 92628319) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide is Cc1cc(C)n(-c2ccc(OCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)nn2)n1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide?
The InChIKey is OYEVGIKPPXYSGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-9-15(2)27(25-14)20-7-8-21(24-23-20)29-13-22(28)26(4)12-17-5-6-19-18(11-17)10-16(3)30-19/h5-9,11,16H,10,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide?
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxy-N-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]acetamide is sourced from PubChem (CID 92628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).