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

C18H20N4 — CID 42635569

IUPAC[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCCC1
InChIInChI=1S/C18H20N4/c19-12-18(7-1-2-8-18)14-5-3-4-13(10-14)15-6-9-20-17-16(15)11-21-22-17/h3-6,9-11H,1-2,7-8,12,19H2,(H,20,21,22)
InChIKeyJNQHXBNUUKHIKV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.40
Rot. Bonds3

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

[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine (PubChem CID 42635569) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine
PubChem CID42635569
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCCC1
InChIInChI=1S/C18H20N4/c19-12-18(7-1-2-8-18)14-5-3-4-13(10-14)15-6-9-20-17-16(15)11-21-22-17/h3-6,9-11H,1-2,7-8,12,19H2,(H,20,21,22)
InChIKeyJNQHXBNUUKHIKV-UHFFFAOYSA-N
XLogP3.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.40
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]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine (CID 42635569) is [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine is NCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCCC1.
What is the InChIKey of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine?
The InChIKey is JNQHXBNUUKHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-18(7-1-2-8-18)14-5-3-4-13(10-14)15-6-9-20-17-16(15)11-21-22-17/h3-6,9-11H,1-2,7-8,12,19H2,(H,20,21,22).
What are the key properties of [1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine?
[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.40, 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]cyclopentyl]methanamine is sourced from PubChem (CID 42635569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).