N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C15H20N4O2 — CID 86800262

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C15H20N4O2/c1-9-7-10(11-8-16-19(2)14(11)17-9)15(21)18-12-5-3-4-6-13(12)20/h7-8,12-13,20H,3-6H2,1-2H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyMWPAQUCJRJWVRU-CHWSQXEVSA-N
MW288.35 g/mol
LogP1.31
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86800262) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86800262
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C15H20N4O2/c1-9-7-10(11-8-16-19(2)14(11)17-9)15(21)18-12-5-3-4-6-13(12)20/h7-8,12-13,20H,3-6H2,1-2H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyMWPAQUCJRJWVRU-CHWSQXEVSA-N
XLogP1.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 86800262) is N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c2cnn(C)c2n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MWPAQUCJRJWVRU-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-7-10(11-8-16-19(2)14(11)17-9)15(21)18-12-5-3-4-6-13(12)20/h7-8,12-13,20H,3-6H2,1-2H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86800262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).