4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

C17H21N7O — CID 134473834

IUPAC4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)ccn1
InChIInChI=1S/C17H21N7O/c1-11-9-12(3-6-19-11)25-16-14-15(22-23-16)21-13(10-20-14)24-7-4-17(2,18)5-8-24/h3,6,9-10H,4-5,7-8,18H2,1-2H3,(H,21,22,23)
InChIKeyUSVXLSQBDFHCIP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.17
Rot. Bonds3

About 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (PubChem CID 134473834) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
PubChem CID134473834
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)ccn1
InChIInChI=1S/C17H21N7O/c1-11-9-12(3-6-19-11)25-16-14-15(22-23-16)21-13(10-20-14)24-7-4-17(2,18)5-8-24/h3,6,9-10H,4-5,7-8,18H2,1-2H3,(H,21,22,23)
InChIKeyUSVXLSQBDFHCIP-UHFFFAOYSA-N
XLogP2.17
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-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 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (CID 134473834) is 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is Cc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)ccn1.
What is the InChIKey of 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The InChIKey is USVXLSQBDFHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-9-12(3-6-19-11)25-16-14-15(22-23-16)21-13(10-20-14)24-7-4-17(2,18)5-8-24/h3,6,9-10H,4-5,7-8,18H2,1-2H3,(H,21,22,23).
What are the key properties of 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[(2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is sourced from PubChem (CID 134473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).