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

C32H25F4N5O3 — CID 68622273

IUPAC2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H25F4N5O3/c33-27-15-23(28-19-38-29-16-21(5-8-41(28)29)20-3-6-37-7-4-20)2-1-22(27)17-30(42)39-26-14-24(13-25(18-26)32(34,35)36)31(43)40-9-11-44-12-10-40/h1-8,13-16,18-19H,9-12,17H2,(H,39,42)
InChIKeyIXXIVHPOPPLOEM-UHFFFAOYSA-N
MW603.58 g/mol
LogP5.87
Rot. Bonds6

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

2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 68622273) has the molecular formula C32H25F4N5O3 and a molecular weight of 603.58 g/mol. Its IUPAC name is 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID68622273
Molecular FormulaC32H25F4N5O3
Molecular Weight603.58 g/mol
Exact Mass603.19
IUPAC Name2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H25F4N5O3/c33-27-15-23(28-19-38-29-16-21(5-8-41(28)29)20-3-6-37-7-4-20)2-1-22(27)17-30(42)39-26-14-24(13-25(18-26)32(34,35)36)31(43)40-9-11-44-12-10-40/h1-8,13-16,18-19H,9-12,17H2,(H,39,42)
InChIKeyIXXIVHPOPPLOEM-UHFFFAOYSA-N
XLogP5.87
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tinodasertib
CID 71766360
N-(2-(Dimethylamino)ethyl)-N-methyl-4-(((4-(4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo(2,3-d)pyrimidin-2-yl)phenyl)carbamoyl)amino)benzamide
CID 44599690
4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71222614
4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71605047
4-[8-amino-3-[(6R,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90282962
Clk-IN-T3
CID 132585205
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
CID 121249908
DDR1/2 inhibitor 5n
CID 134693894

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-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide (CID 68622273) is 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F)Nc1cc(C(=O)N2CCOCC2)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-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IXXIVHPOPPLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F4N5O3/c33-27-15-23(28-19-38-29-16-21(5-8-41(28)29)20-3-6-37-7-4-20)2-1-22(27)17-30(42)39-26-14-24(13-25(18-26)32(34,35)36)31(43)40-9-11-44-12-10-40/h1-8,13-16,18-19H,9-12,17H2,(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-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide?
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 603.58 g/mol, XLogP of 5.87, 6 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-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68622273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).