[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C21H16ClF3N4O3S — CID 46864758

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C21H16ClF3N4O3S/c22-16-15(18(30)28-5-2-20(31,3-6-28)19-26-4-8-33-19)27-17-14(21(23,24)25)9-13(10-29(16)17)12-1-7-32-11-12/h1,4,7-11,31H,2-3,5-6H2
InChIKeyNELKKWNTONISFH-UHFFFAOYSA-N
MW496.90 g/mol
LogP4.85
Rot. Bonds3

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 46864758) has the molecular formula C21H16ClF3N4O3S and a molecular weight of 496.90 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID46864758
Molecular FormulaC21H16ClF3N4O3S
Molecular Weight496.90 g/mol
Exact Mass496.06
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C21H16ClF3N4O3S/c22-16-15(18(30)28-5-2-20(31,3-6-28)19-26-4-8-33-19)27-17-14(21(23,24)25)9-13(10-29(16)17)12-1-7-32-11-12/h1,4,7-11,31H,2-3,5-6H2
InChIKeyNELKKWNTONISFH-UHFFFAOYSA-N
XLogP4.85
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 46864758) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2nccs2)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NELKKWNTONISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3S/c22-16-15(18(30)28-5-2-20(31,3-6-28)19-26-4-8-33-19)27-17-14(21(23,24)25)9-13(10-29(16)17)12-1-7-32-11-12/h1,4,7-11,31H,2-3,5-6H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 496.90 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46864758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).