N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H17BrN6O — CID 44823365

IUPACN-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2cnn(C)c2n1
InChIInChI=1S/C19H17BrN6O/c1-12-7-16(17-9-21-25(2)18(17)23-12)19(27)24-15-5-3-13(4-6-15)10-26-11-14(20)8-22-26/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyDUYLNEKWWCUZOV-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.54
Rot. Bonds4

About N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44823365) has the molecular formula C19H17BrN6O and a molecular weight of 425.29 g/mol. Its IUPAC name is N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44823365
Molecular FormulaC19H17BrN6O
Molecular Weight425.29 g/mol
Exact Mass424.06
IUPAC NameN-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2cnn(C)c2n1
InChIInChI=1S/C19H17BrN6O/c1-12-7-16(17-9-21-25(2)18(17)23-12)19(27)24-15-5-3-13(4-6-15)10-26-11-14(20)8-22-26/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyDUYLNEKWWCUZOV-UHFFFAOYSA-N
XLogP3.54
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-(4-ethoxyphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823208
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
4-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498606
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588358
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44823365) is N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2cnn(C)c2n1.
What is the InChIKey of N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DUYLNEKWWCUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6O/c1-12-7-16(17-9-21-25(2)18(17)23-12)19(27)24-15-5-3-13(4-6-15)10-26-11-14(20)8-22-26/h3-9,11H,10H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 425.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).