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

C23H28N6OS — CID 134006806

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccnn3CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C23H28N6OS/c1-13(2)12-28-21(7-8-24-28)27-23(30)18-10-20(17-9-15(5)31-16(17)6)26-22-19(18)11-25-29(22)14(3)4/h7-11,13-14H,12H2,1-6H3,(H,27,30)
InChIKeyCNZAVYPJCKPFQF-UHFFFAOYSA-N
MW436.59 g/mol
LogP5.46
Rot. Bonds6

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

6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134006806) 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-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134006806
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccnn3CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C23H28N6OS/c1-13(2)12-28-21(7-8-24-28)27-23(30)18-10-20(17-9-15(5)31-16(17)6)26-22-19(18)11-25-29(22)14(3)4/h7-11,13-14H,12H2,1-6H3,(H,27,30)
InChIKeyCNZAVYPJCKPFQF-UHFFFAOYSA-N
XLogP5.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835399
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-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
N-[4-(diethylcarbamoyl)phenyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582713
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605028
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
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-methyl-3-pyrazol-1-ylpropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734268
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
N-[4-(dimethylsulfamoyl)phenyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590787

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccnn3CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CNZAVYPJCKPFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-13(2)12-28-21(7-8-24-28)27-23(30)18-10-20(17-9-15(5)31-16(17)6)26-22-19(18)11-25-29(22)14(3)4/h7-11,13-14H,12H2,1-6H3,(H,27,30).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 5.46, 6 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-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134006806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).