N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H18ClN5O2 — CID 167913185

IUPACN-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cnc3c(cnn3C)c2)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-3-6-20-18(26)14-5-4-13(8-15(14)19)23-17(25)12-7-11-10-22-24(2)16(11)21-9-12/h4-5,7-10H,3,6H2,1-2H3,(H,20,26)(H,23,25)
InChIKeyWVEGAINZNVUPBQ-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.01
Rot. Bonds5

About N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 167913185) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID167913185
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cnc3c(cnn3C)c2)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-3-6-20-18(26)14-5-4-13(8-15(14)19)23-17(25)12-7-11-10-22-24(2)16(11)21-9-12/h4-5,7-10H,3,6H2,1-2H3,(H,20,26)(H,23,25)
InChIKeyWVEGAINZNVUPBQ-UHFFFAOYSA-N
XLogP3.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[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-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide
CID 110006570
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
CID 72871559
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855
butyl 4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate
CID 42157480
2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide
CID 118778111
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 167913185) is N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCNC(=O)c1ccc(NC(=O)c2cnc3c(cnn3C)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WVEGAINZNVUPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-3-6-20-18(26)14-5-4-13(8-15(14)19)23-17(25)12-7-11-10-22-24(2)16(11)21-9-12/h4-5,7-10H,3,6H2,1-2H3,(H,20,26)(H,23,25).
What are the key properties of N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167913185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).