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

C27H25F3N4O2 — CID 67891390

IUPAC3-imidazo[1,2-a]pyridin-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-c1cnc2ccccn12
InChIInChI=1S/C27H25F3N4O2/c1-18-5-6-20(14-23(18)24-16-31-25-4-2-3-7-34(24)25)26(35)32-22-13-19(12-21(15-22)27(28,29)30)17-33-8-10-36-11-9-33/h2-7,12-16H,8-11,17H2,1H3,(H,32,35)
InChIKeyCYEYZYMPAZKIIQ-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.41
Rot. Bonds5

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

3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 67891390) has the molecular formula C27H25F3N4O2 and a molecular weight of 494.52 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID67891390
Molecular FormulaC27H25F3N4O2
Molecular Weight494.52 g/mol
Exact Mass494.19
IUPAC Name3-imidazo[1,2-a]pyridin-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-c1cnc2ccccn12
InChIInChI=1S/C27H25F3N4O2/c1-18-5-6-20(14-23(18)24-16-31-25-4-2-3-7-34(24)25)26(35)32-22-13-19(12-21(15-22)27(28,29)30)17-33-8-10-36-11-9-33/h2-7,12-16H,8-11,17H2,1H3,(H,32,35)
InChIKeyCYEYZYMPAZKIIQ-UHFFFAOYSA-N
XLogP5.41
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (CID 67891390) is 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-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-c1cnc2ccccn12.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CYEYZYMPAZKIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O2/c1-18-5-6-20(14-23(18)24-16-31-25-4-2-3-7-34(24)25)26(35)32-22-13-19(12-21(15-22)27(28,29)30)17-33-8-10-36-11-9-33/h2-7,12-16H,8-11,17H2,1H3,(H,32,35).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 494.52 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 67891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).