1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

C17H19FN6 — CID 71217576

IUPAC1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCc1cccc(Nc2nn(C3CCCC3)c3nc(F)nc(N)c23)c1
InChIInChI=1S/C17H19FN6/c1-10-5-4-6-11(9-10)20-15-13-14(19)21-17(18)22-16(13)24(23-15)12-7-2-3-8-12/h4-6,9,12H,2-3,7-8H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyNNKJJGINJIAGJR-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.71
Rot. Bonds3

About 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 71217576) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID71217576
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCc1cccc(Nc2nn(C3CCCC3)c3nc(F)nc(N)c23)c1
InChIInChI=1S/C17H19FN6/c1-10-5-4-6-11(9-10)20-15-13-14(19)21-17(18)22-16(13)24(23-15)12-7-2-3-8-12/h4-6,9,12H,2-3,7-8H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyNNKJJGINJIAGJR-UHFFFAOYSA-N
XLogP3.71
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 71217576) is 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine is Cc1cccc(Nc2nn(C3CCCC3)c3nc(F)nc(N)c23)c1.
What is the InChIKey of 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is NNKJJGINJIAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-10-5-4-6-11(9-10)20-15-13-14(19)21-17(18)22-16(13)24(23-15)12-7-2-3-8-12/h4-6,9,12H,2-3,7-8H2,1H3,(H,20,23)(H2,19,21,22).
What are the key properties of 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 71217576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).