3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C25H19F3N6O — CID 67891360

IUPAC3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12
InChIInChI=1S/C25H19F3N6O/c1-16-2-3-18(10-21(16)22-12-31-23-13-29-5-7-34(22)23)24(35)32-20-9-17(14-33-6-4-30-15-33)8-19(11-20)25(26,27)28/h2-13,15H,14H2,1H3,(H,32,35)
InChIKeyZNNTWFIOHPLARA-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.22
Rot. Bonds5

About 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 67891360) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID67891360
Molecular FormulaC25H19F3N6O
Molecular Weight476.46 g/mol
Exact Mass476.16
IUPAC Name3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12
InChIInChI=1S/C25H19F3N6O/c1-16-2-3-18(10-21(16)22-12-31-23-13-29-5-7-34(22)23)24(35)32-20-9-17(14-33-6-4-30-15-33)8-19(11-20)25(26,27)28/h2-13,15H,14H2,1H3,(H,32,35)
InChIKeyZNNTWFIOHPLARA-UHFFFAOYSA-N
XLogP5.22
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 67891360) is 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12.
What is the InChIKey of 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is ZNNTWFIOHPLARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c1-16-2-3-18(10-21(16)22-12-31-23-13-29-5-7-34(22)23)24(35)32-20-9-17(14-33-6-4-30-15-33)8-19(11-20)25(26,27)28/h2-13,15H,14H2,1H3,(H,32,35).
What are the key properties of 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 476.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 67891360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).