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

C16H16FN5O — CID 56944461

IUPAC1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1cccc(F)c1)nn2C1CCCC1
InChIInChI=1S/C16H16FN5O/c17-10-4-3-7-12(8-10)23-16-13-14(18)19-9-20-15(13)22(21-16)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,18,19,20)
InChIKeySBNQNEGKKGYBKS-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.45
Rot. Bonds3

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

1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56944461) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56944461
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1cccc(F)c1)nn2C1CCCC1
InChIInChI=1S/C16H16FN5O/c17-10-4-3-7-12(8-10)23-16-13-14(18)19-9-20-15(13)22(21-16)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,18,19,20)
InChIKeySBNQNEGKKGYBKS-UHFFFAOYSA-N
XLogP3.45
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56944461) is 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Oc1cccc(F)c1)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SBNQNEGKKGYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-10-4-3-7-12(8-10)23-16-13-14(18)19-9-20-15(13)22(21-16)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 313.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56944461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).