N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H18N6O2S2 — CID 24580729

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)s1
InChIInChI=1S/C18H18N6O2S2/c1-4-27-18-23-22-17(28-18)21-16(25)11-8-13(14-6-5-7-26-14)20-15-12(11)9-19-24(15)10(2)3/h5-10H,4H2,1-3H3,(H,21,22,25)
InChIKeySYZWNBQZNCJKLM-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.49
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24580729) has the molecular formula C18H18N6O2S2 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24580729
Molecular FormulaC18H18N6O2S2
Molecular Weight414.52 g/mol
Exact Mass414.09
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)s1
InChIInChI=1S/C18H18N6O2S2/c1-4-27-18-23-22-17(28-18)21-16(25)11-8-13(14-6-5-7-26-14)20-15-12(11)9-19-24(15)10(2)3/h5-10H,4H2,1-3H3,(H,21,22,25)
InChIKeySYZWNBQZNCJKLM-UHFFFAOYSA-N
XLogP4.49
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581186
6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 7589390
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028
S-[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529535
1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581099
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644
N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119996921
6-(furan-2-yl)-N-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134037517
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38206296
6-(furan-2-yl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56555808
N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55804253

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24580729) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCSc1nnc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SYZWNBQZNCJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S2/c1-4-27-18-23-22-17(28-18)21-16(25)11-8-13(14-6-5-7-26-14)20-15-12(11)9-19-24(15)10(2)3/h5-10H,4H2,1-3H3,(H,21,22,25).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24580729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).