1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C24H23N7O3S2 — CID 30364674

IUPAC1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C24H23N7O3S2/c32-23(27-19-1-3-20(4-2-19)36(33,34)30-24-26-13-16-35-24)18-9-14-31(15-10-18)22-6-5-21(28-29-22)17-7-11-25-12-8-17/h1-8,11-13,16,18H,9-10,14-15H2,(H,26,30)(H,27,32)
InChIKeyCOBYCGSPYHTIAI-UHFFFAOYSA-N
MW521.63 g/mol
LogP3.65
Rot. Bonds7

About 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 30364674) has the molecular formula C24H23N7O3S2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID30364674
Molecular FormulaC24H23N7O3S2
Molecular Weight521.63 g/mol
Exact Mass521.13
IUPAC Name1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C24H23N7O3S2/c32-23(27-19-1-3-20(4-2-19)36(33,34)30-24-26-13-16-35-24)18-9-14-31(15-10-18)22-6-5-21(28-29-22)17-7-11-25-12-8-17/h1-8,11-13,16,18H,9-10,14-15H2,(H,26,30)(H,27,32)
InChIKeyCOBYCGSPYHTIAI-UHFFFAOYSA-N
XLogP3.65
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 30364674) is 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is COBYCGSPYHTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S2/c32-23(27-19-1-3-20(4-2-19)36(33,34)30-24-26-13-16-35-24)18-9-14-31(15-10-18)22-6-5-21(28-29-22)17-7-11-25-12-8-17/h1-8,11-13,16,18H,9-10,14-15H2,(H,26,30)(H,27,32).
What are the key properties of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 521.63 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30364674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).