N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H24ClN5O — CID 16581633

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cnc21
InChIInChI=1S/C21H24ClN5O/c1-14(2)27-20-15(13-24-27)10-16(12-23-20)21(28)25-18-11-17(22)6-7-19(18)26-8-4-3-5-9-26/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,28)
InChIKeyRXYNUXPBHSVNCY-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.91
Rot. Bonds4

About N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581633) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581633
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cnc21
InChIInChI=1S/C21H24ClN5O/c1-14(2)27-20-15(13-24-27)10-16(12-23-20)21(28)25-18-11-17(22)6-7-19(18)26-8-4-3-5-9-26/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,28)
InChIKeyRXYNUXPBHSVNCY-UHFFFAOYSA-N
XLogP4.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[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

N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586062
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157080179
N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679706
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
CID 2441869
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17488366
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581645
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
N-(5-chloro-2-piperidin-1-ylphenyl)-2-pyrazol-1-ylpropanamide
CID 134048479

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581633) is N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cnc21.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RXYNUXPBHSVNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-14(2)27-20-15(13-24-27)10-16(12-23-20)21(28)25-18-11-17(22)6-7-19(18)26-8-4-3-5-9-26/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).