N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H22FN5 — CID 163656892

IUPACN-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(CCC1CCC(Nc2ncnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C19H22FN5/c20-17(14-4-2-1-3-5-14)9-7-13-6-8-15(10-13)24-18-16-11-23-25-19(16)22-12-21-18/h1-5,11-13,15,17H,6-10H2,(H2,21,22,23,24,25)
InChIKeyIQZXCRUPHAQGOH-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.42
Rot. Bonds6

About N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163656892) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID163656892
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC NameN-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(CCC1CCC(Nc2ncnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C19H22FN5/c20-17(14-4-2-1-3-5-14)9-7-13-6-8-15(10-13)24-18-16-11-23-25-19(16)22-12-21-18/h1-5,11-13,15,17H,6-10H2,(H2,21,22,23,24,25)
InChIKeyIQZXCRUPHAQGOH-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 163656892) is N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(CCC1CCC(Nc2ncnc3[nH]ncc23)C1)c1ccccc1.
What is the InChIKey of N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IQZXCRUPHAQGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c20-17(14-4-2-1-3-5-14)9-7-13-6-8-15(10-13)24-18-16-11-23-25-19(16)22-12-21-18/h1-5,11-13,15,17H,6-10H2,(H2,21,22,23,24,25).
What are the key properties of N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-3-phenylpropyl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163656892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).