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

C18H21N5O — CID 59834846

IUPACN-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(CCOC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C18H21N5O/c1-2-4-13(5-3-1)8-9-24-15-7-6-14(10-15)22-17-16-11-21-23-18(16)20-12-19-17/h1-5,11-12,14-15H,6-10H2,(H2,19,20,21,22,23)/t14-,15?/m0/s1
InChIKeyHHTSYJJVWSOTQQ-MLCCFXAWSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds6

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

N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 59834846) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID59834846
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(CCOC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C18H21N5O/c1-2-4-13(5-3-1)8-9-24-15-7-6-14(10-15)22-17-16-11-21-23-18(16)20-12-19-17/h1-5,11-12,14-15H,6-10H2,(H2,19,20,21,22,23)/t14-,15?/m0/s1
InChIKeyHHTSYJJVWSOTQQ-MLCCFXAWSA-N
XLogP2.95
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 59834846) is N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(CCOC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.
What is the InChIKey of N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HHTSYJJVWSOTQQ-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-4-13(5-3-1)8-9-24-15-7-6-14(10-15)22-17-16-11-21-23-18(16)20-12-19-17/h1-5,11-12,14-15H,6-10H2,(H2,19,20,21,22,23)/t14-,15?/m0/s1.
What are the key properties of N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59834846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).