N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H25N5O2S — CID 34192670

IUPACN-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1nc2ccccc2s1
InChIInChI=1S/C25H25N5O2S/c1-6-29(25-28-20-9-7-8-10-22(20)33-25)24(31)18-12-21(17-11-15(4)32-16(17)5)27-23-19(18)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3
InChIKeyLJINZBMXUBTUAN-UHFFFAOYSA-N
MW459.58 g/mol
LogP6.17
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 34192670) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID34192670
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1nc2ccccc2s1
InChIInChI=1S/C25H25N5O2S/c1-6-29(25-28-20-9-7-8-10-22(20)33-25)24(31)18-12-21(17-11-15(4)32-16(17)5)27-23-19(18)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3
InChIKeyLJINZBMXUBTUAN-UHFFFAOYSA-N
XLogP6.17
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-butyl-6-(2,5-dimethylfuran-3-yl)-N-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18268870
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylfuran-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18283947
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 135953917
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
CID 119359044
6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16592751
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55592560
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 34192670) is N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LJINZBMXUBTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-6-29(25-28-20-9-7-8-10-22(20)33-25)24(31)18-12-21(17-11-15(4)32-16(17)5)27-23-19(18)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 34192670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).