[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

C22H14ClF3N4OS — CID 46864813

IUPAC[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C22H14ClF3N4OS/c23-18-17(21(31)29-8-6-14(11-29)20-27-7-9-32-20)28-19-16(22(24,25)26)10-15(12-30(18)19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2
InChIKeyGLNZLVZTLFFWCU-UHFFFAOYSA-N
MW474.90 g/mol
LogP5.67
Rot. Bonds3

About [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864813) has the molecular formula C22H14ClF3N4OS and a molecular weight of 474.90 g/mol. Its IUPAC name is [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID46864813
Molecular FormulaC22H14ClF3N4OS
Molecular Weight474.90 g/mol
Exact Mass474.05
IUPAC Name[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C22H14ClF3N4OS/c23-18-17(21(31)29-8-6-14(11-29)20-27-7-9-32-20)28-19-16(22(24,25)26)10-15(12-30(18)19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2
InChIKeyGLNZLVZTLFFWCU-UHFFFAOYSA-N
XLogP5.67
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864813) is [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2nccs2)C1.
What is the InChIKey of [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is GLNZLVZTLFFWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4OS/c23-18-17(21(31)29-8-6-14(11-29)20-27-7-9-32-20)28-19-16(22(24,25)26)10-15(12-30(18)19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2.
What are the key properties of [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 474.90 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 46864813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).