N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19FN4O2 — CID 133126009

IUPACN-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO[C@@H]1COC[C@H]1Nc1cc(-c2ccccc2F)nc2ccnn12
InChIInChI=1S/C18H19FN4O2/c1-2-25-16-11-24-10-15(16)22-18-9-14(12-5-3-4-6-13(12)19)21-17-7-8-20-23(17)18/h3-9,15-16,22H,2,10-11H2,1H3/t15-,16-/m1/s1
InChIKeySXELKTRXIBFYKR-HZPDHXFCSA-N
MW342.37 g/mol
LogP2.75
Rot. Bonds5

About N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133126009) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID133126009
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO[C@@H]1COC[C@H]1Nc1cc(-c2ccccc2F)nc2ccnn12
InChIInChI=1S/C18H19FN4O2/c1-2-25-16-11-24-10-15(16)22-18-9-14(12-5-3-4-6-13(12)19)21-17-7-8-20-23(17)18/h3-9,15-16,22H,2,10-11H2,1H3/t15-,16-/m1/s1
InChIKeySXELKTRXIBFYKR-HZPDHXFCSA-N
XLogP2.75
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 133126009) is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCO[C@@H]1COC[C@H]1Nc1cc(-c2ccccc2F)nc2ccnn12.
What is the InChIKey of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SXELKTRXIBFYKR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-2-25-16-11-24-10-15(16)22-18-9-14(12-5-3-4-6-13(12)19)21-17-7-8-20-23(17)18/h3-9,15-16,22H,2,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133126009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).