6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C22H21N5O2S — CID 31516879

IUPAC6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H21N5O2S/c1-13(2)27-20-18(12-23-27)17(10-14(3)24-20)21(28)25-15-6-4-7-16(11-15)26-22(29)19-8-5-9-30-19/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyXBFOVOJBKMJVPH-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.89
Rot. Bonds5

About 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 31516879) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID31516879
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H21N5O2S/c1-13(2)27-20-18(12-23-27)17(10-14(3)24-20)21(28)25-15-6-4-7-16(11-15)26-22(29)19-8-5-9-30-19/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyXBFOVOJBKMJVPH-UHFFFAOYSA-N
XLogP4.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610677
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610678
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855
N-(3-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495888
1-propan-2-yl-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60617355
N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71855273
6-methyl-1-propan-2-yl-N-quinolin-6-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887694
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 120522396
N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46550778
1-propan-2-yl-N-[3-(pyridin-2-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 31516879) is 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is XBFOVOJBKMJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-13(2)27-20-18(12-23-27)17(10-14(3)24-20)21(28)25-15-6-4-7-16(11-15)26-22(29)19-8-5-9-30-19/h4-13H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31516879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).