6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H28N6OS — CID 55734268

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(C)Cn3cccn3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C23H28N6OS/c1-14(2)29-22-20(12-26-29)19(10-21(27-22)18-9-16(4)31-17(18)5)23(30)24-11-15(3)13-28-8-6-7-25-28/h6-10,12,14-15H,11,13H2,1-5H3,(H,24,30)
InChIKeyBWHKFQVGCGKPBE-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.62
Rot. Bonds7

About 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55734268) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55734268
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(C)Cn3cccn3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C23H28N6OS/c1-14(2)29-22-20(12-26-29)19(10-21(27-22)18-9-16(4)31-17(18)5)23(30)24-11-15(3)13-28-8-6-7-25-28/h6-10,12,14-15H,11,13H2,1-5H3,(H,24,30)
InChIKeyBWHKFQVGCGKPBE-UHFFFAOYSA-N
XLogP4.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24622368
6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78868896
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
6-(2,5-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26002280
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134006806
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605044
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37392918
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51646868
6-(2,5-dimethylthiophen-3-yl)-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 24607861

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55734268) is 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCC(C)Cn3cccn3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BWHKFQVGCGKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-14(2)29-22-20(12-26-29)19(10-21(27-22)18-9-16(4)31-17(18)5)23(30)24-11-15(3)13-28-8-6-7-25-28/h6-10,12,14-15H,11,13H2,1-5H3,(H,24,30).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55734268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).