N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C23H20F3N5O3S — CID 44540670

IUPACN-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C23H20F3N5O3S/c24-23(25,26)34-16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(35-22)13-30-7-9-33-10-8-30/h1-6,11-12,14H,7-10,13H2,(H,27,29,32)
InChIKeyYRFCEWCFBPLGMB-UHFFFAOYSA-N
MW503.51 g/mol
LogP4.44
Rot. Bonds6

About N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 44540670) has the molecular formula C23H20F3N5O3S and a molecular weight of 503.51 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID44540670
Molecular FormulaC23H20F3N5O3S
Molecular Weight503.51 g/mol
Exact Mass503.12
IUPAC NameN-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C23H20F3N5O3S/c24-23(25,26)34-16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(35-22)13-30-7-9-33-10-8-30/h1-6,11-12,14H,7-10,13H2,(H,27,29,32)
InChIKeyYRFCEWCFBPLGMB-UHFFFAOYSA-N
XLogP4.44
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
CID 172559973
2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
CID 158681131
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 143902920
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
CID 46971835
N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285476
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 122284288
N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553298
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44540765
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928

Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 44540670) is N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(Nc1ncc(CN2CCOCC2)s1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is YRFCEWCFBPLGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3S/c24-23(25,26)34-16-4-1-3-15(11-16)19-14-31-6-2-5-18(20(31)28-19)21(32)29-22-27-12-17(35-22)13-30-7-9-33-10-8-30/h1-6,11-12,14H,7-10,13H2,(H,27,29,32).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 44540670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).