N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C30H24F3N5O2S — CID 161144762

IUPACN-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C30H24F3N5O2S/c1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40)
InChIKeyYGQUUBMBSPJGBL-UHFFFAOYSA-N
MW575.62 g/mol
LogP6.57
Rot. Bonds8

About N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 161144762) has the molecular formula C30H24F3N5O2S and a molecular weight of 575.62 g/mol. Its IUPAC name is N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID161144762
Molecular FormulaC30H24F3N5O2S
Molecular Weight575.62 g/mol
Exact Mass575.16
IUPAC NameN-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C30H24F3N5O2S/c1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40)
InChIKeyYGQUUBMBSPJGBL-UHFFFAOYSA-N
XLogP6.57
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.62
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethynylphenyl)-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 159546657
2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 59154232
3-(4-methylimidazol-1-yl)-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 155565320
1-[3-ethyl-5-(trifluoromethyl)phenyl]-4-methylimidazole
CID 67891313
2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 161134962
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 122698167
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]cyclohexane-1-carboxamide
CID 162619756
N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol
CID 165089748
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 91409436
3-[2-[6-(cyclopropanecarbonylamino)-3-pyridinyl]ethynyl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 155207034
2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-7-yl)ethanone
CID 157187178

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 161144762) is N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is Cc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is YGQUUBMBSPJGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N5O2S/c1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20/h2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40).
What are the key properties of N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 575.62 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161144762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).