3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole

C21H18FN7O — CID 134304661

IUPAC3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nc(-c3cn4ccnc4c(Cc4ccccc4F)n3)nc2C)no1
InChIInChI=1S/C21H18FN7O/c1-13-9-16(27-30-13)11-29-14(2)24-20(26-29)19-12-28-8-7-23-21(28)18(25-19)10-15-5-3-4-6-17(15)22/h3-9,12H,10-11H2,1-2H3
InChIKeyKPTMOOPMFOYICA-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.37
Rot. Bonds5

About 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 134304661) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID134304661
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nc(-c3cn4ccnc4c(Cc4ccccc4F)n3)nc2C)no1
InChIInChI=1S/C21H18FN7O/c1-13-9-16(27-30-13)11-29-14(2)24-20(26-29)19-12-28-8-7-23-21(28)18(25-19)10-15-5-3-4-6-17(15)22/h3-9,12H,10-11H2,1-2H3
InChIKeyKPTMOOPMFOYICA-UHFFFAOYSA-N
XLogP3.37
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole (CID 134304661) is 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2nc(-c3cn4ccnc4c(Cc4ccccc4F)n3)nc2C)no1.
What is the InChIKey of 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is KPTMOOPMFOYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-13-9-16(27-30-13)11-29-14(2)24-20(26-29)19-12-28-8-7-23-21(28)18(25-19)10-15-5-3-4-6-17(15)22/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 403.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 134304661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).