3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

C26H24F3N5O2 — CID 67891347

IUPAC3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12
InChIInChI=1S/C26H24F3N5O2/c1-17-2-3-19(12-22(17)23-14-31-24-15-30-4-5-34(23)24)25(35)32-21-11-18(10-20(13-21)26(27,28)29)16-33-6-8-36-9-7-33/h2-5,10-15H,6-9,16H2,1H3,(H,32,35)
InChIKeyBDLMFJBVITYALU-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.81
Rot. Bonds5

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

3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 67891347) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID67891347
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12
InChIInChI=1S/C26H24F3N5O2/c1-17-2-3-19(12-22(17)23-14-31-24-15-30-4-5-34(23)24)25(35)32-21-11-18(10-20(13-21)26(27,28)29)16-33-6-8-36-9-7-33/h2-5,10-15H,6-9,16H2,1H3,(H,32,35)
InChIKeyBDLMFJBVITYALU-UHFFFAOYSA-N
XLogP4.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.81
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-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (CID 67891347) is 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12.
What is the InChIKey of 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BDLMFJBVITYALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-17-2-3-19(12-22(17)23-14-31-24-15-30-4-5-34(23)24)25(35)32-21-11-18(10-20(13-21)26(27,28)29)16-33-6-8-36-9-7-33/h2-5,10-15H,6-9,16H2,1H3,(H,32,35).
What are the key properties of 3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 495.51 g/mol, XLogP of 4.81, 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-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 67891347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).