N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide

C22H19N5O3S — CID 147427786

IUPACN-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(CCc1csc2ccccc12)NC(=O)c1ccnn1-c1ccccn1
InChIInChI=1S/C22H19N5O3S/c23-21(29)20(28)16(9-8-14-13-31-18-6-2-1-5-15(14)18)26-22(30)17-10-12-25-27(17)19-7-3-4-11-24-19/h1-7,10-13,16H,8-9H2,(H2,23,29)(H,26,30)
InChIKeyDTSVIQQMZXCQSF-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.27
Rot. Bonds8

About N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide

N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 147427786) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID147427786
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(CCc1csc2ccccc12)NC(=O)c1ccnn1-c1ccccn1
InChIInChI=1S/C22H19N5O3S/c23-21(29)20(28)16(9-8-14-13-31-18-6-2-1-5-15(14)18)26-22(30)17-10-12-25-27(17)19-7-3-4-11-24-19/h1-7,10-13,16H,8-9H2,(H2,23,29)(H,26,30)
InChIKeyDTSVIQQMZXCQSF-UHFFFAOYSA-N
XLogP2.27
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153385281
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385622
N-[4-amino-3,4-dioxo-1-(4H-thieno[3,2-b]pyrrol-6-yl)butan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153385581
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385785
N-[4-amino-1-(4H-furo[3,2-b]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153386037
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,3-oxazole-5-carboxamide
CID 153385466
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 148869983
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
CID 153386123
N-[1-amino-5-(furan-3-yl)-1,2-dioxopentan-3-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385833
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
CID 153043553
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386185

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide (CID 147427786) is N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide is NC(=O)C(=O)C(CCc1csc2ccccc12)NC(=O)c1ccnn1-c1ccccn1.
What is the InChIKey of N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is DTSVIQQMZXCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c23-21(29)20(28)16(9-8-14-13-31-18-6-2-1-5-15(14)18)26-22(30)17-10-12-25-27(17)19-7-3-4-11-24-19/h1-7,10-13,16H,8-9H2,(H2,23,29)(H,26,30).
What are the key properties of N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide?
N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 147427786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).