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

C18H20FN5O — CID 59992438

IUPACN-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESF[C@H](COC1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C18H20FN5O/c19-16(12-4-2-1-3-5-12)10-25-14-7-6-13(8-14)23-17-15-9-22-24-18(15)21-11-20-17/h1-5,9,11,13-14,16H,6-8,10H2,(H2,20,21,22,23,24)/t13-,14?,16+/m0/s1
InChIKeyNNTKZJTVGVZFRP-XWDNMSNZSA-N
MW341.39 g/mol
LogP3.41
Rot. Bonds6

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

N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 59992438) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID59992438
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESF[C@H](COC1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C18H20FN5O/c19-16(12-4-2-1-3-5-12)10-25-14-7-6-13(8-14)23-17-15-9-22-24-18(15)21-11-20-17/h1-5,9,11,13-14,16H,6-8,10H2,(H2,20,21,22,23,24)/t13-,14?,16+/m0/s1
InChIKeyNNTKZJTVGVZFRP-XWDNMSNZSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 59834846
N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11559983
(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
CID 59992440
N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11544663
N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 69276306
N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine
CID 143007985
N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11667219
N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11552147
N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11638883
N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11646096
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole
CID 143181122

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 59992438) is N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is F[C@H](COC1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NNTKZJTVGVZFRP-XWDNMSNZSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-16(12-4-2-1-3-5-12)10-25-14-7-6-13(8-14)23-17-15-9-22-24-18(15)21-11-20-17/h1-5,9,11,13-14,16H,6-8,10H2,(H2,20,21,22,23,24)/t13-,14?,16+/m0/s1.
What are the key properties of N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59992438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).