4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide

C25H23F3N4O2 — CID 70854986

IUPAC4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C
InChIInChI=1S/C25H23F3N4O2/c1-15-11-16(7-8-18(15)24(34)29-2)21-13-31-23-20(30-10-9-25(26,27)28)12-17(14-32(21)23)19-5-3-4-6-22(19)33/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34)
InChIKeyNXBXQFUZFGCKKG-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.41
Rot. Bonds6

About 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide

4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (PubChem CID 70854986) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
PubChem CID70854986
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C
InChIInChI=1S/C25H23F3N4O2/c1-15-11-16(7-8-18(15)24(34)29-2)21-13-31-23-20(30-10-9-25(26,27)28)12-17(14-32(21)23)19-5-3-4-6-22(19)33/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34)
InChIKeyNXBXQFUZFGCKKG-UHFFFAOYSA-N
XLogP5.41
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (CID 70854986) is 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C.
What is the InChIKey of 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The InChIKey is NXBXQFUZFGCKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-15-11-16(7-8-18(15)24(34)29-2)21-13-31-23-20(30-10-9-25(26,27)28)12-17(14-32(21)23)19-5-3-4-6-22(19)33/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34).
What are the key properties of 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide has a molecular weight of 468.48 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 70854986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).