[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H14ClF3N6OS — CID 59443877

IUPAC[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1
InChIInChI=1S/C20H14ClF3N6OS/c21-16-15(19(31)29-6-2-11(3-7-29)18-25-5-8-32-18)27-17-13(20(22,23)24)9-12(10-30(16)17)14-1-4-26-28-14/h1-2,4-5,8-10H,3,6-7H2,(H,26,28)
InChIKeyUEKJTBZBDLHULW-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.78
Rot. Bonds3

About [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 59443877) has the molecular formula C20H14ClF3N6OS and a molecular weight of 478.89 g/mol. Its IUPAC name is [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID59443877
Molecular FormulaC20H14ClF3N6OS
Molecular Weight478.89 g/mol
Exact Mass478.06
IUPAC Name[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1
InChIInChI=1S/C20H14ClF3N6OS/c21-16-15(19(31)29-6-2-11(3-7-29)18-25-5-8-32-18)27-17-13(20(22,23)24)9-12(10-30(16)17)14-1-4-26-28-14/h1-2,4-5,8-10H,3,6-7H2,(H,26,28)
InChIKeyUEKJTBZBDLHULW-UHFFFAOYSA-N
XLogP4.78
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 59443877) is [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1.
What is the InChIKey of [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is UEKJTBZBDLHULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6OS/c21-16-15(19(31)29-6-2-11(3-7-29)18-25-5-8-32-18)27-17-13(20(22,23)24)9-12(10-30(16)17)14-1-4-26-28-14/h1-2,4-5,8-10H,3,6-7H2,(H,26,28).
What are the key properties of [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 478.89 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 59443877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).