N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol

C19H24FN5O — CID 143007954

IUPACN-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol
SMILESCc1ccc(CCO)cc1.FC1CCC(Nc2ncnc3[nH]ncc23)C1
InChIInChI=1S/C10H12FN5.C9H12O/c11-6-1-2-7(3-6)15-9-8-4-14-16-10(8)13-5-12-9;1-8-2-4-9(5-3-8)6-7-10/h4-7H,1-3H2,(H2,12,13,14,15,16);2-5,10H,6-7H2,1H3
InChIKeyAEHJNDMUPICUSP-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.19
Rot. Bonds4

About N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol

N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol (PubChem CID 143007954) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol.

Molecular Properties

Compound NameN-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol
PubChem CID143007954
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol
SMILESCc1ccc(CCO)cc1.FC1CCC(Nc2ncnc3[nH]ncc23)C1
InChIInChI=1S/C10H12FN5.C9H12O/c11-6-1-2-7(3-6)15-9-8-4-14-16-10(8)13-5-12-9;1-8-2-4-9(5-3-8)6-7-10/h4-7H,1-3H2,(H2,12,13,14,15,16);2-5,10H,6-7H2,1H3
InChIKeyAEHJNDMUPICUSP-UHFFFAOYSA-N
XLogP3.19
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol?
The IUPAC name of N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol (CID 143007954) is N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol.
What is the SMILES notation for N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol?
The canonical SMILES for N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol is Cc1ccc(CCO)cc1.FC1CCC(Nc2ncnc3[nH]ncc23)C1.
What is the InChIKey of N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol?
The InChIKey is AEHJNDMUPICUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5.C9H12O/c11-6-1-2-7(3-6)15-9-8-4-14-16-10(8)13-5-12-9;1-8-2-4-9(5-3-8)6-7-10/h4-7H,1-3H2,(H2,12,13,14,15,16);2-5,10H,6-7H2,1H3.
What are the key properties of N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol?
N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol has a molecular weight of 357.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol is sourced from PubChem (CID 143007954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).