N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H24N4O — CID 37031751

IUPACN-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(C)nn(C)c2nc1C
InChIInChI=1S/C16H24N4O/c1-5-6-7-8-9-17-16(21)14-10-13-12(3)19-20(4)15(13)18-11(14)2/h10H,5-9H2,1-4H3,(H,17,21)
InChIKeyDPKJPAJMTPVAOM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.90
Rot. Bonds6

About N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 37031751) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID37031751
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(C)nn(C)c2nc1C
InChIInChI=1S/C16H24N4O/c1-5-6-7-8-9-17-16(21)14-10-13-12(3)19-20(4)15(13)18-11(14)2/h10H,5-9H2,1-4H3,(H,17,21)
InChIKeyDPKJPAJMTPVAOM-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexyl-1,3,6-trimethylpyrazolo[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

1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139010525
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 37031751) is N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCCNC(=O)c1cc2c(C)nn(C)c2nc1C.
What is the InChIKey of N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DPKJPAJMTPVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-6-7-8-9-17-16(21)14-10-13-12(3)19-20(4)15(13)18-11(14)2/h10H,5-9H2,1-4H3,(H,17,21).
What are the key properties of N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 37031751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).