N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H23N5O — CID 50826708

IUPACN-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3ccccc3)c(NCc3ccccc3)c12
InChIInChI=1S/C23H23N5O/c1-16-20-21(24-13-17-9-5-3-6-10-17)19(15-25-22(20)28(2)27-16)23(29)26-14-18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyOYVVDBWIJMLIOG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 50826708) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID50826708
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3ccccc3)c(NCc3ccccc3)c12
InChIInChI=1S/C23H23N5O/c1-16-20-21(24-13-17-9-5-3-6-10-17)19(15-25-22(20)28(2)27-16)23(29)26-14-18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyOYVVDBWIJMLIOG-UHFFFAOYSA-N
XLogP3.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-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

ethyl 4-[[4-(furan-2-carbonylamino)phenyl]methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466379
4-[(4-chlorophenyl)methylamino]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46382674
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-4-(4-methylanilino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826689
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
1,3-dimethyl-4-(3-methylbutylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937505
ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456709
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86691177
4-(5-hydroxypentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107317940

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 50826708) is N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCc3ccccc3)c(NCc3ccccc3)c12.
What is the InChIKey of N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OYVVDBWIJMLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-20-21(24-13-17-9-5-3-6-10-17)19(15-25-22(20)28(2)27-16)23(29)26-14-18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 50826708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).