4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine

C17H21N7 — CID 166300721

IUPAC4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine
SMILESCn1ncc2cc(-c3cncc(NC4CCC(N)CC4)n3)cnc21
InChIInChI=1S/C17H21N7/c1-24-17-12(8-21-24)6-11(7-20-17)15-9-19-10-16(23-15)22-14-4-2-13(18)3-5-14/h6-10,13-14H,2-5,18H2,1H3,(H,22,23)
InChIKeyZRCJVCXGLGFNEY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.11
Rot. Bonds3

About 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine

4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine (PubChem CID 166300721) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine
PubChem CID166300721
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine
SMILESCn1ncc2cc(-c3cncc(NC4CCC(N)CC4)n3)cnc21
InChIInChI=1S/C17H21N7/c1-24-17-12(8-21-24)6-11(7-20-17)15-9-19-10-16(23-15)22-14-4-2-13(18)3-5-14/h6-10,13-14H,2-5,18H2,1H3,(H,22,23)
InChIKeyZRCJVCXGLGFNEY-UHFFFAOYSA-N
XLogP2.11
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine 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 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine (CID 166300721) is 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine is Cn1ncc2cc(-c3cncc(NC4CCC(N)CC4)n3)cnc21.
What is the InChIKey of 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is ZRCJVCXGLGFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-24-17-12(8-21-24)6-11(7-20-17)15-9-19-10-16(23-15)22-14-4-2-13(18)3-5-14/h6-10,13-14H,2-5,18H2,1H3,(H,22,23).
What are the key properties of 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine?
4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 166300721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).