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

C26H22F6N4O3 — CID 66554608

IUPACN,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C
InChIInChI=1S/C26H22F6N4O3/c1-15-10-16(6-7-20(15)24(37)33-2)22-13-35-23-21(34-9-8-25(27,28)29)12-19(14-36(22)23)38-17-4-3-5-18(11-17)39-26(30,31)32/h3-7,10-14,34H,8-9H2,1-2H3,(H,33,37)
InChIKeyYVGHSGQUGIIOSV-UHFFFAOYSA-N
MW552.48 g/mol
LogP6.72
Rot. Bonds8

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

N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 66554608) has the molecular formula C26H22F6N4O3 and a molecular weight of 552.48 g/mol. Its IUPAC name is N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID66554608
Molecular FormulaC26H22F6N4O3
Molecular Weight552.48 g/mol
Exact Mass552.16
IUPAC NameN,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C
InChIInChI=1S/C26H22F6N4O3/c1-15-10-16(6-7-20(15)24(37)33-2)22-13-35-23-21(34-9-8-25(27,28)29)12-19(14-36(22)23)38-17-4-3-5-18(11-17)39-26(30,31)32/h3-7,10-14,34H,8-9H2,1-2H3,(H,33,37)
InChIKeyYVGHSGQUGIIOSV-UHFFFAOYSA-N
XLogP6.72
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.48
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 66554608) is N,2-dimethyl-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,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC(F)(F)F)c4)cn23)cc1C.
What is the InChIKey of N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is YVGHSGQUGIIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N4O3/c1-15-10-16(6-7-20(15)24(37)33-2)22-13-35-23-21(34-9-8-25(27,28)29)12-19(14-36(22)23)38-17-4-3-5-18(11-17)39-26(30,31)32/h3-7,10-14,34H,8-9H2,1-2H3,(H,33,37).
What are the key properties of N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 552.48 g/mol, XLogP of 6.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[6-[3-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 66554608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).