2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide

C26H24F3N7O3S — CID 16662906

IUPAC2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESO=C(Nc1cn2cc(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)ccc2n1)C(F)(F)F
InChIInChI=1S/C26H24F3N7O3S/c27-26(28,29)24(37)35-22-16-36-15-17(3-8-23(36)34-22)1-2-18-13-31-25(32-14-18)33-19-4-6-20(7-5-19)40(38,39)21-9-11-30-12-10-21/h1-8,13-16,21,30H,9-12H2,(H,35,37)(H,31,32,33)/b2-1+
InChIKeySSYQFKSBMKWURK-OWOJBTEDSA-N
MW571.59 g/mol
LogP4.06
Rot. Bonds7

About 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide

2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 16662906) has the molecular formula C26H24F3N7O3S and a molecular weight of 571.59 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID16662906
Molecular FormulaC26H24F3N7O3S
Molecular Weight571.59 g/mol
Exact Mass571.16
IUPAC Name2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESO=C(Nc1cn2cc(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)ccc2n1)C(F)(F)F
InChIInChI=1S/C26H24F3N7O3S/c27-26(28,29)24(37)35-22-16-36-15-17(3-8-23(36)34-22)1-2-18-13-31-25(32-14-18)33-19-4-6-20(7-5-19)40(38,39)21-9-11-30-12-10-21/h1-8,13-16,21,30H,9-12H2,(H,35,37)(H,31,32,33)/b2-1+
InChIKeySSYQFKSBMKWURK-OWOJBTEDSA-N
XLogP4.06
TPSA130.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.59
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide with MolForge

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Related Compounds

1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
Imidazo[1,2-a]pyridine deriv. 4f
CID 6539035
N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,1-dioxothiane-4-carboxamide
CID 52940837
6-(benzenesulfonyl)-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 53252571
6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 53253242
1-[(1,1-Dioxidothiomorpholin-4-yl)methyl]-n-[6-(trifluoromethyl)pyridin-2-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 54580174
1-[4-(Benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 66614212
6-[(5-Ethylsulfonyl-2-pyridinyl)methylamino]-8-propan-2-yl-2-(4-propan-2-ylpyrimidin-5-yl)pteridin-7-one
CID 118440473
1-Ethyl-3-[5-(5-methylsulfonylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484815
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-[3-(trifluoromethylsulfonyl)anilino]acetamide
CID 77451721
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 127038306
N-(2-fluoro-4-methylsulfonylphenyl)-3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]triazolo[4,5-d]pyrimidin-7-amine
CID 137647821

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 16662906) is 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide is O=C(Nc1cn2cc(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)ccc2n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is SSYQFKSBMKWURK-OWOJBTEDSA-N. The full InChI is InChI=1S/C26H24F3N7O3S/c27-26(28,29)24(37)35-22-16-36-15-17(3-8-23(36)34-22)1-2-18-13-31-25(32-14-18)33-19-4-6-20(7-5-19)40(38,39)21-9-11-30-12-10-21/h1-8,13-16,21,30H,9-12H2,(H,35,37)(H,31,32,33)/b2-1+.
What are the key properties of 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 571.59 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 16662906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).