N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C15H13ClN4O — CID 44823088

IUPACN-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)c2cnn(C)c2n1
InChIInChI=1S/C15H13ClN4O/c1-9-6-12(13-8-17-20(2)14(13)18-9)15(21)19-11-5-3-4-10(16)7-11/h3-8H,1-2H3,(H,19,21)
InChIKeyXZFOKVKJPANFSY-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.18
Rot. Bonds2

About N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44823088) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44823088
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)c2cnn(C)c2n1
InChIInChI=1S/C15H13ClN4O/c1-9-6-12(13-8-17-20(2)14(13)18-9)15(21)19-11-5-3-4-10(16)7-11/h3-8H,1-2H3,(H,19,21)
InChIKeyXZFOKVKJPANFSY-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
N-(4-ethoxyphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823208
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823365
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31516879

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44823088) is N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2)c2cnn(C)c2n1.
What is the InChIKey of N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is XZFOKVKJPANFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-6-12(13-8-17-20(2)14(13)18-9)15(21)19-11-5-3-4-10(16)7-11/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).