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

C26H25F3N4O2 — CID 70817928

IUPACN-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C
InChIInChI=1S/C26H25F3N4O2/c1-3-30-25(35)19-9-8-17(12-16(19)2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)34/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35)
InChIKeyIXYOZEDTTWDBES-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.80
Rot. Bonds7

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

N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 70817928) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID70817928
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC NameN-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C
InChIInChI=1S/C26H25F3N4O2/c1-3-30-25(35)19-9-8-17(12-16(19)2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)34/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35)
InChIKeyIXYOZEDTTWDBES-UHFFFAOYSA-N
XLogP5.80
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 70817928) is N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4O)cn23)cc1C.
What is the InChIKey of N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is IXYOZEDTTWDBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-3-30-25(35)19-9-8-17(12-16(19)2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)34/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35).
What are the key properties of N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 482.51 g/mol, XLogP of 5.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(2-hydroxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 70817928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).