3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide

C28H26F4N4O4 — CID 70864373

IUPAC3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C28H26F4N4O4/c1-38-22-6-5-18(16-23(22)40-13-10-35-8-11-39-12-9-35)25-26(36-7-3-2-4-24(36)33-25)34-27(37)19-14-20(28(30,31)32)17-21(29)15-19/h2-7,14-17H,8-13H2,1H3,(H,34,37)
InChIKeyMDFNLJLZEHVJFO-UHFFFAOYSA-N
MW558.53 g/mol
LogP5.13
Rot. Bonds8

About 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 70864373) has the molecular formula C28H26F4N4O4 and a molecular weight of 558.53 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID70864373
Molecular FormulaC28H26F4N4O4
Molecular Weight558.53 g/mol
Exact Mass558.19
IUPAC Name3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C28H26F4N4O4/c1-38-22-6-5-18(16-23(22)40-13-10-35-8-11-39-12-9-35)25-26(36-7-3-2-4-24(36)33-25)34-27(37)19-14-20(28(30,31)32)17-21(29)15-19/h2-7,14-17H,8-13H2,1H3,(H,34,37)
InChIKeyMDFNLJLZEHVJFO-UHFFFAOYSA-N
XLogP5.13
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide (CID 70864373) is 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide is COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1.
What is the InChIKey of 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is MDFNLJLZEHVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O4/c1-38-22-6-5-18(16-23(22)40-13-10-35-8-11-39-12-9-35)25-26(36-7-3-2-4-24(36)33-25)34-27(37)19-14-20(28(30,31)32)17-21(29)15-19/h2-7,14-17H,8-13H2,1H3,(H,34,37).
What are the key properties of 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 558.53 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70864373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).