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

C26H24F4N4O2 — CID 66555811

IUPACN-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C
InChIInChI=1S/C26H24F4N4O2/c1-3-31-25(35)21-8-7-17(11-16(21)2)23-14-33-24-22(32-10-9-26(28,29)30)13-20(15-34(23)24)36-19-6-4-5-18(27)12-19/h4-8,11-15,32H,3,9-10H2,1-2H3,(H,31,35)
InChIKeyBVMAALZWLLNTMR-UHFFFAOYSA-N
MW500.50 g/mol
LogP6.36
Rot. Bonds8

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

N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 66555811) has the molecular formula C26H24F4N4O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID66555811
Molecular FormulaC26H24F4N4O2
Molecular Weight500.50 g/mol
Exact Mass500.18
IUPAC NameN-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C
InChIInChI=1S/C26H24F4N4O2/c1-3-31-25(35)21-8-7-17(11-16(21)2)23-14-33-24-22(32-10-9-26(28,29)30)13-20(15-34(23)24)36-19-6-4-5-18(27)12-19/h4-8,11-15,32H,3,9-10H2,1-2H3,(H,31,35)
InChIKeyBVMAALZWLLNTMR-UHFFFAOYSA-N
XLogP6.36
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 66555811) is N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C.
What is the InChIKey of N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is BVMAALZWLLNTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O2/c1-3-31-25(35)21-8-7-17(11-16(21)2)23-14-33-24-22(32-10-9-26(28,29)30)13-20(15-34(23)24)36-19-6-4-5-18(27)12-19/h4-8,11-15,32H,3,9-10H2,1-2H3,(H,31,35).
What are the key properties of N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 500.50 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66555811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).