2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide

C32H27F4N5O2 — CID 68621684

IUPAC2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H27F4N5O2/c33-28-15-25(29-19-38-30-16-23(5-8-41(29)30)22-3-6-37-7-4-22)2-1-24(28)17-31(42)39-27-14-21(13-26(18-27)32(34,35)36)20-40-9-11-43-12-10-40/h1-8,13-16,18-19H,9-12,17,20H2,(H,39,42)
InChIKeyTZVRAYUFVYCELA-UHFFFAOYSA-N
MW589.59 g/mol
LogP6.23
Rot. Bonds7

About 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide

2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 68621684) has the molecular formula C32H27F4N5O2 and a molecular weight of 589.59 g/mol. Its IUPAC name is 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID68621684
Molecular FormulaC32H27F4N5O2
Molecular Weight589.59 g/mol
Exact Mass589.21
IUPAC Name2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H27F4N5O2/c33-28-15-25(29-19-38-30-16-23(5-8-41(29)30)22-3-6-37-7-4-22)2-1-24(28)17-31(42)39-27-14-21(13-26(18-27)32(34,35)36)20-40-9-11-43-12-10-40/h1-8,13-16,18-19H,9-12,17,20H2,(H,39,42)
InChIKeyTZVRAYUFVYCELA-UHFFFAOYSA-N
XLogP6.23
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.59
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide (CID 68621684) is 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZVRAYUFVYCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F4N5O2/c33-28-15-25(29-19-38-30-16-23(5-8-41(29)30)22-3-6-37-7-4-22)2-1-24(28)17-31(42)39-27-14-21(13-26(18-27)32(34,35)36)20-40-9-11-43-12-10-40/h1-8,13-16,18-19H,9-12,17,20H2,(H,39,42).
What are the key properties of 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide?
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 589.59 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68621684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).