1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone

C23H16F3N5OS — CID 157329361

IUPAC1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H16F3N5OS/c1-30-21(16(11-27-30)22-29-19(13-33-22)23(24,25)26)18(32)9-14-7-8-31-12-17(28-20(31)10-14)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3
InChIKeyXBYWKAQOWCPFNL-UHFFFAOYSA-N
MW467.48 g/mol
LogP5.30
Rot. Bonds5

About 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone

1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 157329361) has the molecular formula C23H16F3N5OS and a molecular weight of 467.48 g/mol. Its IUPAC name is 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone
PubChem CID157329361
Molecular FormulaC23H16F3N5OS
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC Name1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H16F3N5OS/c1-30-21(16(11-27-30)22-29-19(13-33-22)23(24,25)26)18(32)9-14-7-8-31-12-17(28-20(31)10-14)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3
InChIKeyXBYWKAQOWCPFNL-UHFFFAOYSA-N
XLogP5.30
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone (CID 157329361) is 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone?
The InChIKey is XBYWKAQOWCPFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5OS/c1-30-21(16(11-27-30)22-29-19(13-33-22)23(24,25)26)18(32)9-14-7-8-31-12-17(28-20(31)10-14)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3.
What are the key properties of 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone?
1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 467.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 157329361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).