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

C19H22FN5O — CID 11646096

IUPACN-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(CCOC2CCC(Nc3ncnc4[nH]ncc34)CC2)c1
InChIInChI=1S/C19H22FN5O/c20-14-3-1-2-13(10-14)8-9-26-16-6-4-15(5-7-16)24-18-17-11-23-25-19(17)22-12-21-18/h1-3,10-12,15-16H,4-9H2,(H2,21,22,23,24,25)
InChIKeyQAVYHQZSNGVVTJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.47
Rot. Bonds6

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

N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11646096) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11646096
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(CCOC2CCC(Nc3ncnc4[nH]ncc34)CC2)c1
InChIInChI=1S/C19H22FN5O/c20-14-3-1-2-13(10-14)8-9-26-16-6-4-15(5-7-16)24-18-17-11-23-25-19(17)22-12-21-18/h1-3,10-12,15-16H,4-9H2,(H2,21,22,23,24,25)
InChIKeyQAVYHQZSNGVVTJ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11646096) is N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1cccc(CCOC2CCC(Nc3ncnc4[nH]ncc34)CC2)c1.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QAVYHQZSNGVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-14-3-1-2-13(10-14)8-9-26-16-6-4-15(5-7-16)24-18-17-11-23-25-19(17)22-12-21-18/h1-3,10-12,15-16H,4-9H2,(H2,21,22,23,24,25).
What are the key properties of N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11646096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).