N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C16H22N4O — CID 46514383

IUPACN-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C16H22N4O/c1-4-5-8-17-16(21)12-9-13(11-6-7-11)18-15-14(12)10(2)19-20(15)3/h9,11H,4-8H2,1-3H3,(H,17,21)
InChIKeyOXEQARFDPBHPIW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds5

About N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46514383) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46514383
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C16H22N4O/c1-4-5-8-17-16(21)12-9-13(11-6-7-11)18-15-14(12)10(2)19-20(15)3/h9,11H,4-8H2,1-3H3,(H,17,21)
InChIKeyOXEQARFDPBHPIW-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-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

6-cyclopropyl-1,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19496010
N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30755491
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38600870
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46514383) is N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C.
What is the InChIKey of N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OXEQARFDPBHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-5-8-17-16(21)12-9-13(11-6-7-11)18-15-14(12)10(2)19-20(15)3/h9,11H,4-8H2,1-3H3,(H,17,21).
What are the key properties of N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46514383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).