3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

C30H25F3N4O — CID 83289167

IUPAC3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12)NCCc1ccccn1
InChIInChI=1S/C30H25F3N4O/c31-30(32,33)24-10-6-9-22(19-24)23-12-14-27-36-29(21-7-2-1-3-8-21)26(37(27)20-23)13-15-28(38)35-18-16-25-11-4-5-17-34-25/h1-12,14,17,19-20H,13,15-16,18H2,(H,35,38)
InChIKeyULAYVEXRFBQGKH-UHFFFAOYSA-N
MW514.55 g/mol
LogP6.37
Rot. Bonds8

About 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83289167) has the molecular formula C30H25F3N4O and a molecular weight of 514.55 g/mol. Its IUPAC name is 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID83289167
Molecular FormulaC30H25F3N4O
Molecular Weight514.55 g/mol
Exact Mass514.20
IUPAC Name3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12)NCCc1ccccn1
InChIInChI=1S/C30H25F3N4O/c31-30(32,33)24-10-6-9-22(19-24)23-12-14-27-36-29(21-7-2-1-3-8-21)26(37(27)20-23)13-15-28(38)35-18-16-25-11-4-5-17-34-25/h1-12,14,17,19-20H,13,15-16,18H2,(H,35,38)
InChIKeyULAYVEXRFBQGKH-UHFFFAOYSA-N
XLogP6.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 83289167) is 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is O=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12)NCCc1ccccn1.
What is the InChIKey of 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is ULAYVEXRFBQGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O/c31-30(32,33)24-10-6-9-22(19-24)23-12-14-27-36-29(21-7-2-1-3-8-21)26(37(27)20-23)13-15-28(38)35-18-16-25-11-4-5-17-34-25/h1-12,14,17,19-20H,13,15-16,18H2,(H,35,38).
What are the key properties of 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 514.55 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83289167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).