N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C17H26N4 — CID 79836173

IUPACN-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NC3CCCCC3(C)C)cnc21
InChIInChI=1S/C17H26N4/c1-12(2)21-16-13(10-19-21)9-14(11-18-16)20-15-7-5-6-8-17(15,3)4/h9-12,15,20H,5-8H2,1-4H3
InChIKeyYCOJQKUGEOABAG-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.39
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 79836173) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID79836173
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NC3CCCCC3(C)C)cnc21
InChIInChI=1S/C17H26N4/c1-12(2)21-16-13(10-19-21)9-14(11-18-16)20-15-7-5-6-8-17(15,3)4/h9-12,15,20H,5-8H2,1-4H3
InChIKeyYCOJQKUGEOABAG-UHFFFAOYSA-N
XLogP4.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine 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-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 79836173) is N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(NC3CCCCC3(C)C)cnc21.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is YCOJQKUGEOABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)21-16-13(10-19-21)9-14(11-18-16)20-15-7-5-6-8-17(15,3)4/h9-12,15,20H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 286.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 79836173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).