4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C24H17N5O2S — CID 162534094

IUPAC4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1
InChIInChI=1S/C24H17N5O2S/c30-22(27-24-26-20(14-32-24)16-5-2-1-3-6-16)17-10-8-15(9-11-17)13-19-21-18(7-4-12-25-21)23(31)29-28-19/h1-12,14H,13H2,(H,29,31)(H,26,27,30)
InChIKeyQGKHVXOCYJFODS-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.28
Rot. Bonds5

About 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 162534094) has the molecular formula C24H17N5O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID162534094
Molecular FormulaC24H17N5O2S
Molecular Weight439.50 g/mol
Exact Mass439.11
IUPAC Name4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1
InChIInChI=1S/C24H17N5O2S/c30-22(27-24-26-20(14-32-24)16-5-2-1-3-6-16)17-10-8-15(9-11-17)13-19-21-18(7-4-12-25-21)23(31)29-28-19/h1-12,14H,13H2,(H,29,31)(H,26,27,30)
InChIKeyQGKHVXOCYJFODS-UHFFFAOYSA-N
XLogP4.28
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tak-715
CID 9952773
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
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N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
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2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
CID 6905916
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 162534094) is 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1.
What is the InChIKey of 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QGKHVXOCYJFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S/c30-22(27-24-26-20(14-32-24)16-5-2-1-3-6-16)17-10-8-15(9-11-17)13-19-21-18(7-4-12-25-21)23(31)29-28-19/h1-12,14H,13H2,(H,29,31)(H,26,27,30).
What are the key properties of 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 439.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 162534094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).