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

C17H20N6OS2 — CID 7589390

IUPAC6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1
InChIInChI=1S/C17H20N6OS2/c1-4-25-17-22-21-16(26-17)20-15(24)11-7-13(10-5-6-10)19-14-12(11)8-18-23(14)9(2)3/h7-10H,4-6H2,1-3H3,(H,20,21,24)
InChIKeyLPZGHEFOSHYYLC-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.11
Rot. Bonds6

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

6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 7589390) has the molecular formula C17H20N6OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID7589390
Molecular FormulaC17H20N6OS2
Molecular Weight388.52 g/mol
Exact Mass388.11
IUPAC Name6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1
InChIInChI=1S/C17H20N6OS2/c1-4-25-17-22-21-16(26-17)20-15(24)11-7-13(10-5-6-10)19-14-12(11)8-18-23(14)9(2)3/h7-10H,4-6H2,1-3H3,(H,20,21,24)
InChIKeyLPZGHEFOSHYYLC-UHFFFAOYSA-N
XLogP4.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580729
6-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 53369398
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 29407607
N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9464192
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
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
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17492877
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 7589390) is 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1.
What is the InChIKey of 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LPZGHEFOSHYYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS2/c1-4-25-17-22-21-16(26-17)20-15(24)11-7-13(10-5-6-10)19-14-12(11)8-18-23(14)9(2)3/h7-10H,4-6H2,1-3H3,(H,20,21,24).
What are the key properties of 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 7589390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).