1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H20N6 — CID 24905222

IUPAC1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccc2cc(-c3nn(C4CCCC4)c4ncnc(N)c34)ccc21
InChIInChI=1S/C19H20N6/c1-24-9-8-12-10-13(6-7-15(12)24)17-16-18(20)21-11-22-19(16)25(23-17)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,20,21,22)
InChIKeyLQIVXZFCXIBJSU-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.68
Rot. Bonds2

About 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905222) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905222
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccc2cc(-c3nn(C4CCCC4)c4ncnc(N)c34)ccc21
InChIInChI=1S/C19H20N6/c1-24-9-8-12-10-13(6-7-15(12)24)17-16-18(20)21-11-22-19(16)25(23-17)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,20,21,22)
InChIKeyLQIVXZFCXIBJSU-UHFFFAOYSA-N
XLogP3.68
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905222) is 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ccc2cc(-c3nn(C4CCCC4)c4ncnc(N)c34)ccc21.
What is the InChIKey of 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LQIVXZFCXIBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-24-9-8-12-10-13(6-7-15(12)24)17-16-18(20)21-11-22-19(16)25(23-17)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).