6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C21H22FN7 — CID 70706737

IUPAC6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cnn(-c4ccc(F)cc4)c3)nc(C3CCCC3)nc21
InChIInChI=1S/C21H22FN7/c1-28-21-18(12-24-28)20(26-19(27-21)15-4-2-3-5-15)23-10-14-11-25-29(13-14)17-8-6-16(22)7-9-17/h6-9,11-13,15H,2-5,10H2,1H3,(H,23,26,27)
InChIKeyRKZNQZGXQIMJCA-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.96
Rot. Bonds5

About 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70706737) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70706737
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cnn(-c4ccc(F)cc4)c3)nc(C3CCCC3)nc21
InChIInChI=1S/C21H22FN7/c1-28-21-18(12-24-28)20(26-19(27-21)15-4-2-3-5-15)23-10-14-11-25-29(13-14)17-8-6-16(22)7-9-17/h6-9,11-13,15H,2-5,10H2,1H3,(H,23,26,27)
InChIKeyRKZNQZGXQIMJCA-UHFFFAOYSA-N
XLogP3.96
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70706737) is 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3cnn(-c4ccc(F)cc4)c3)nc(C3CCCC3)nc21.
What is the InChIKey of 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RKZNQZGXQIMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-28-21-18(12-24-28)20(26-19(27-21)15-4-2-3-5-15)23-10-14-11-25-29(13-14)17-8-6-16(22)7-9-17/h6-9,11-13,15H,2-5,10H2,1H3,(H,23,26,27).
What are the key properties of 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 391.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).