N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide

C20H23N5O2 — CID 58124600

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccccc2)c2ncccc12)C(N)=O
InChIInChI=1S/C20H23N5O2/c1-20(2,3)16(17(21)26)23-19(27)15-14-10-7-11-22-18(14)25(24-15)12-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3,(H2,21,26)(H,23,27)
InChIKeyROZDCQPFUXCALE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.11
Rot. Bonds5

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 58124600) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID58124600
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccccc2)c2ncccc12)C(N)=O
InChIInChI=1S/C20H23N5O2/c1-20(2,3)16(17(21)26)23-19(27)15-14-10-7-11-22-18(14)25(24-15)12-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3,(H2,21,26)(H,23,27)
InChIKeyROZDCQPFUXCALE-UHFFFAOYSA-N
XLogP2.11
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 58124600) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide is CC(C)(C)C(NC(=O)c1nn(Cc2ccccc2)c2ncccc12)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is ROZDCQPFUXCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)16(17(21)26)23-19(27)15-14-10-7-11-22-18(14)25(24-15)12-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3,(H2,21,26)(H,23,27).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58124600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).