N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C25H25N5O4S — CID 122305211

IUPACN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)cc3)nn2)n1
InChIInChI=1S/C25H25N5O4S/c1-17(2)35(32,33)22-10-4-19(5-11-22)16-24(31)26-20-6-8-21(9-7-20)34-25-13-12-23(27-28-25)30-15-14-18(3)29-30/h4-15,17H,16H2,1-3H3,(H,26,31)
InChIKeyCAPTWZFIFBSKDI-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.13
Rot. Bonds8

About N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 122305211) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID122305211
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)cc3)nn2)n1
InChIInChI=1S/C25H25N5O4S/c1-17(2)35(32,33)22-10-4-19(5-11-22)16-24(31)26-20-6-8-21(9-7-20)34-25-13-12-23(27-28-25)30-15-14-18(3)29-30/h4-15,17H,16H2,1-3H3,(H,26,31)
InChIKeyCAPTWZFIFBSKDI-UHFFFAOYSA-N
XLogP4.13
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
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
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 122305211) is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)cc3)nn2)n1.
What is the InChIKey of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is CAPTWZFIFBSKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-17(2)35(32,33)22-10-4-19(5-11-22)16-24(31)26-20-6-8-21(9-7-20)34-25-13-12-23(27-28-25)30-15-14-18(3)29-30/h4-15,17H,16H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 491.57 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 122305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).