[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine

C17H18N4 — CID 42635568

IUPAC[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCC1
InChIInChI=1S/C17H18N4/c18-11-17(6-2-7-17)13-4-1-3-12(9-13)14-5-8-19-16-15(14)10-20-21-16/h1,3-5,8-10H,2,6-7,11,18H2,(H,19,20,21)
InChIKeyRLELDCQBMZOUDW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.01
Rot. Bonds3

About [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine

[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine (PubChem CID 42635568) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine
PubChem CID42635568
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCC1
InChIInChI=1S/C17H18N4/c18-11-17(6-2-7-17)13-4-1-3-12(9-13)14-5-8-19-16-15(14)10-20-21-16/h1,3-5,8-10H,2,6-7,11,18H2,(H,19,20,21)
InChIKeyRLELDCQBMZOUDW-UHFFFAOYSA-N
XLogP3.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine (CID 42635568) is [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine is NCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCC1.
What is the InChIKey of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is RLELDCQBMZOUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-11-17(6-2-7-17)13-4-1-3-12(9-13)14-5-8-19-16-15(14)10-20-21-16/h1,3-5,8-10H,2,6-7,11,18H2,(H,19,20,21).
What are the key properties of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine?
[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 42635568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).