2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine

C17H20N4 — CID 42635564

IUPAC2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
SMILESCCC(C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1
InChIInChI=1S/C17H20N4/c1-3-17(2,11-18)13-6-4-5-12(9-13)14-7-8-19-16-15(14)10-20-21-16/h4-10H,3,11,18H2,1-2H3,(H,19,20,21)
InChIKeyWIGAEXDQNXLNQM-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine

2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine (PubChem CID 42635564) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
PubChem CID42635564
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
SMILESCCC(C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1
InChIInChI=1S/C17H20N4/c1-3-17(2,11-18)13-6-4-5-12(9-13)14-7-8-19-16-15(14)10-20-21-16/h4-10H,3,11,18H2,1-2H3,(H,19,20,21)
InChIKeyWIGAEXDQNXLNQM-UHFFFAOYSA-N
XLogP3.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine?
The IUPAC name of 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine (CID 42635564) is 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine is CCC(C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1.
What is the InChIKey of 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine?
The InChIKey is WIGAEXDQNXLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-17(2,11-18)13-6-4-5-12(9-13)14-7-8-19-16-15(14)10-20-21-16/h4-10H,3,11,18H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine?
2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 42635564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).