N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C24H20ClF3N4O — CID 171679288

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C24H20ClF3N4O/c1-14-3-6-16(7-4-14)23-20(32-13-15(2)5-8-21(32)31-23)10-22(33)30-12-19-18(25)9-17(11-29-19)24(26,27)28/h3-9,11,13H,10,12H2,1-2H3,(H,30,33)
InChIKeyYHJOXSIBEUSETD-UHFFFAOYSA-N
MW472.90 g/mol
LogP5.54
Rot. Bonds5

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 171679288) has the molecular formula C24H20ClF3N4O and a molecular weight of 472.90 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID171679288
Molecular FormulaC24H20ClF3N4O
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C24H20ClF3N4O/c1-14-3-6-16(7-4-14)23-20(32-13-15(2)5-8-21(32)31-23)10-22(33)30-12-19-18(25)9-17(11-29-19)24(26,27)28/h3-9,11,13H,10,12H2,1-2H3,(H,30,33)
InChIKeyYHJOXSIBEUSETD-UHFFFAOYSA-N
XLogP5.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 171679288) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is YHJOXSIBEUSETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O/c1-14-3-6-16(7-4-14)23-20(32-13-15(2)5-8-21(32)31-23)10-22(33)30-12-19-18(25)9-17(11-29-19)24(26,27)28/h3-9,11,13H,10,12H2,1-2H3,(H,30,33).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 472.90 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 171679288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).