1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C21H21N5O — CID 51854349

IUPAC1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)c2cnn(C)c2n1
InChIInChI=1S/C21H21N5O/c1-14-11-18(19-13-22-25(3)20(19)23-14)21(27)24-15(2)16-7-6-8-17(12-16)26-9-4-5-10-26/h4-13,15H,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeySHBPJJFDOHFQAN-OAHLLOKOSA-N
MW359.43 g/mol
LogP3.56
Rot. Bonds4

About 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51854349) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51854349
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)c2cnn(C)c2n1
InChIInChI=1S/C21H21N5O/c1-14-11-18(19-13-22-25(3)20(19)23-14)21(27)24-15(2)16-7-6-8-17(12-16)26-9-4-5-10-26/h4-13,15H,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeySHBPJJFDOHFQAN-OAHLLOKOSA-N
XLogP3.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823350
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78831279
7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19479372
1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136902519
N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51853362
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51854349) is 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SHBPJJFDOHFQAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-11-18(19-13-22-25(3)20(19)23-14)21(27)24-15(2)16-7-6-8-17(12-16)26-9-4-5-10-26/h4-13,15H,1-3H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).