N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H20FN5O — CID 11544663

IUPACN-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C18H20FN5O/c19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t14-,15-/m0/s1
InChIKeyOPRAQITZPBQKDC-GJZGRUSLSA-N
MW341.39 g/mol
LogP3.08
Rot. Bonds6

About N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11544663) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11544663
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C18H20FN5O/c19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t14-,15-/m0/s1
InChIKeyOPRAQITZPBQKDC-GJZGRUSLSA-N
XLogP3.08
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11544663) is N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.
What is the InChIKey of N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OPRAQITZPBQKDC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11544663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).