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

C19H22FN5O — CID 11552147

IUPACN-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F
InChIInChI=1S/C19H22FN5O/c1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18/h2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25)/t14-,15-/m0/s1
InChIKeyNYJUAMZQWROAER-GJZGRUSLSA-N
MW355.42 g/mol
LogP3.39
Rot. Bonds6

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

N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11552147) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11552147
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F
InChIInChI=1S/C19H22FN5O/c1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18/h2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25)/t14-,15-/m0/s1
InChIKeyNYJUAMZQWROAER-GJZGRUSLSA-N
XLogP3.39
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.39
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-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11552147) is N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F.
What is the InChIKey of N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NYJUAMZQWROAER-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18/h2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.39, 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-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11552147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).