3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide

C24H28F3N3O — CID 3341343

IUPAC3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCN(CCC)C(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cc(C)ccn12
InChIInChI=1S/C24H28F3N3O/c1-4-10-29(11-5-2)23(31)15-20(18-7-6-8-19(14-18)24(25,26)27)21-16-28-22-13-17(3)9-12-30(21)22/h6-9,12-14,16,20H,4-5,10-11,15H2,1-3H3
InChIKeyAECZTBMURVLWOF-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.83
Rot. Bonds8

About 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3341343) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3341343
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCN(CCC)C(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cc(C)ccn12
InChIInChI=1S/C24H28F3N3O/c1-4-10-29(11-5-2)23(31)15-20(18-7-6-8-19(14-18)24(25,26)27)21-16-28-22-13-17(3)9-12-30(21)22/h6-9,12-14,16,20H,4-5,10-11,15H2,1-3H3
InChIKeyAECZTBMURVLWOF-UHFFFAOYSA-N
XLogP5.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 3341343) is 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide is CCCN(CCC)C(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cc(C)ccn12.
What is the InChIKey of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AECZTBMURVLWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c1-4-10-29(11-5-2)23(31)15-20(18-7-6-8-19(14-18)24(25,26)27)21-16-28-22-13-17(3)9-12-30(21)22/h6-9,12-14,16,20H,4-5,10-11,15H2,1-3H3.
What are the key properties of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide?
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3341343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).