3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

C21H21N5O2 — CID 133127222

IUPAC3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCO[C@@H]1COC[C@H]1n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C21H21N5O2/c1-2-28-18-13-27-12-17(18)25-14-23-19(15-7-4-3-5-8-15)20(25)16-11-24-26-10-6-9-22-21(16)26/h3-11,14,17-18H,2,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyTWXOBFCLDVBUCU-QZTJIDSGSA-N
MW375.43 g/mol
LogP3.24
Rot. Bonds5

About 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 133127222) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID133127222
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCO[C@@H]1COC[C@H]1n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C21H21N5O2/c1-2-28-18-13-27-12-17(18)25-14-23-19(15-7-4-3-5-8-15)20(25)16-11-24-26-10-6-9-22-21(16)26/h3-11,14,17-18H,2,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyTWXOBFCLDVBUCU-QZTJIDSGSA-N
XLogP3.24
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
CID 50970568
3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50959268
3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95125081
3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
CID 126424904
4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154823831
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
5-pyrazolo[1,5-a]pyrimidin-3-ylquinoline
CID 175931882

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 133127222) is 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is CCO[C@@H]1COC[C@H]1n1cnc(-c2ccccc2)c1-c1cnn2cccnc12.
What is the InChIKey of 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is TWXOBFCLDVBUCU-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-28-18-13-27-12-17(18)25-14-23-19(15-7-4-3-5-8-15)20(25)16-11-24-26-10-6-9-22-21(16)26/h3-11,14,17-18H,2,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 375.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133127222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).