1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H21N5O2 — CID 24905189

IUPAC1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C18H21N5O2/c1-24-13-8-7-11(9-14(13)25-2)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyULLIAFSPUSWCIL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.21
Rot. Bonds4

About 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905189) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905189
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C18H21N5O2/c1-24-13-8-7-11(9-14(13)25-2)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyULLIAFSPUSWCIL-UHFFFAOYSA-N
XLogP3.21
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905189) is 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1OC.
What is the InChIKey of 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ULLIAFSPUSWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-13-8-7-11(9-14(13)25-2)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).