N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide

C19H15N5O3S2 — CID 153385281

IUPACN-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1csc2ccsc12)NC(=O)c1ccnn1-c1ccccn1
InChIInChI=1S/C19H15N5O3S2/c20-18(26)16(25)12(9-11-10-29-14-5-8-28-17(11)14)23-19(27)13-4-7-22-24(13)15-3-1-2-6-21-15/h1-8,10,12H,9H2,(H2,20,26)(H,23,27)
InChIKeyTZYZTKVEOIUFHM-UHFFFAOYSA-N
MW425.50 g/mol
LogP1.94
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 153385281) has the molecular formula C19H15N5O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID153385281
Molecular FormulaC19H15N5O3S2
Molecular Weight425.50 g/mol
Exact Mass425.06
IUPAC NameN-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1csc2ccsc12)NC(=O)c1ccnn1-c1ccccn1
InChIInChI=1S/C19H15N5O3S2/c20-18(26)16(25)12(9-11-10-29-14-5-8-28-17(11)14)23-19(27)13-4-7-22-24(13)15-3-1-2-6-21-15/h1-8,10,12H,9H2,(H2,20,26)(H,23,27)
InChIKeyTZYZTKVEOIUFHM-UHFFFAOYSA-N
XLogP1.94
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4H-thieno[3,2-b]pyrrol-6-yl)butan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153385581
N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 147427786
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]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385622
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-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386185
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 149453599
N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
CID 153484099
N-[4-amino-3,4-dioxo-1-(1H-thieno[3,4-b]pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385834
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-thiophen-2-ylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153386001

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide (CID 153385281) is N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide is NC(=O)C(=O)C(Cc1csc2ccsc12)NC(=O)c1ccnn1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is TZYZTKVEOIUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S2/c20-18(26)16(25)12(9-11-10-29-14-5-8-28-17(11)14)23-19(27)13-4-7-22-24(13)15-3-1-2-6-21-15/h1-8,10,12H,9H2,(H2,20,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 153385281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).