5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide

C19H14ClN5O2S — CID 122305218

IUPAC5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)s4)cc3)nn2)n1
InChIInChI=1S/C19H14ClN5O2S/c1-12-10-11-25(24-12)17-8-9-18(23-22-17)27-14-4-2-13(3-5-14)21-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,21,26)
InChIKeyNXXYJOBUFMFWBU-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.73
Rot. Bonds5

About 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide

5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 122305218) has the molecular formula C19H14ClN5O2S and a molecular weight of 411.87 g/mol. Its IUPAC name is 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID122305218
Molecular FormulaC19H14ClN5O2S
Molecular Weight411.87 g/mol
Exact Mass411.06
IUPAC Name5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)s4)cc3)nn2)n1
InChIInChI=1S/C19H14ClN5O2S/c1-12-10-11-25(24-12)17-8-9-18(23-22-17)27-14-4-2-13(3-5-14)21-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,21,26)
InChIKeyNXXYJOBUFMFWBU-UHFFFAOYSA-N
XLogP4.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide (CID 122305218) is 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)s4)cc3)nn2)n1.
What is the InChIKey of 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is NXXYJOBUFMFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S/c1-12-10-11-25(24-12)17-8-9-18(23-22-17)27-14-4-2-13(3-5-14)21-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,21,26).
What are the key properties of 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide?
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 122305218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).