3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

C22H16FN5 — CID 50975114

IUPAC3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cn2cnc(-c3ccccc3)c2-c2cnn3cccnc23)cc1
InChIInChI=1S/C22H16FN5/c23-18-9-7-16(8-10-18)14-27-15-25-20(17-5-2-1-3-6-17)21(27)19-13-26-28-12-4-11-24-22(19)28/h1-13,15H,14H2
InChIKeyFOSKKUAEDKUBIA-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.45
Rot. Bonds4

About 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 50975114) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID50975114
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cn2cnc(-c3ccccc3)c2-c2cnn3cccnc23)cc1
InChIInChI=1S/C22H16FN5/c23-18-9-7-16(8-10-18)14-27-15-25-20(17-5-2-1-3-6-17)21(27)19-13-26-28-12-4-11-24-22(19)28/h1-13,15H,14H2
InChIKeyFOSKKUAEDKUBIA-UHFFFAOYSA-N
XLogP4.45
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 133127222
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50960351
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
CID 141221253
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
3-benzylimidazo[4,5-b]pyridine
CID 11009167
4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyridine
CID 50974400
5-pyrazolo[1,5-a]pyrimidin-3-ylquinoline
CID 175931882

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 50975114) is 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is Fc1ccc(Cn2cnc(-c3ccccc3)c2-c2cnn3cccnc23)cc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is FOSKKUAEDKUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-18-9-7-16(8-10-18)14-27-15-25-20(17-5-2-1-3-6-17)21(27)19-13-26-28-12-4-11-24-22(19)28/h1-13,15H,14H2.
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 369.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50975114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).