N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

C27H24F6N4O3 — CID 66554607

IUPACN-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C
InChIInChI=1S/C27H24F6N4O3/c1-3-34-25(38)21-8-7-17(11-16(21)2)23-14-36-24-22(35-10-9-26(28,29)30)13-20(15-37(23)24)39-18-5-4-6-19(12-18)40-27(31,32)33/h4-8,11-15,35H,3,9-10H2,1-2H3,(H,34,38)
InChIKeyVTOGZFIKABRVTD-UHFFFAOYSA-N
MW566.50 g/mol
LogP7.11
Rot. Bonds9

About N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 66554607) has the molecular formula C27H24F6N4O3 and a molecular weight of 566.50 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID66554607
Molecular FormulaC27H24F6N4O3
Molecular Weight566.50 g/mol
Exact Mass566.18
IUPAC NameN-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C
InChIInChI=1S/C27H24F6N4O3/c1-3-34-25(38)21-8-7-17(11-16(21)2)23-14-36-24-22(35-10-9-26(28,29)30)13-20(15-37(23)24)39-18-5-4-6-19(12-18)40-27(31,32)33/h4-8,11-15,35H,3,9-10H2,1-2H3,(H,34,38)
InChIKeyVTOGZFIKABRVTD-UHFFFAOYSA-N
XLogP7.11
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 66554607) is N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C.
What is the InChIKey of N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is VTOGZFIKABRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F6N4O3/c1-3-34-25(38)21-8-7-17(11-16(21)2)23-14-36-24-22(35-10-9-26(28,29)30)13-20(15-37(23)24)39-18-5-4-6-19(12-18)40-27(31,32)33/h4-8,11-15,35H,3,9-10H2,1-2H3,(H,34,38).
What are the key properties of N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 566.50 g/mol, XLogP of 7.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 66554607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).