2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole

C20H13F2N5O2S2 — CID 22031096

IUPAC2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1
InChIInChI=1S/C20H13F2N5O2S2/c1-31(28,29)17-9-24-20(30-17)15-8-23-16-6-5-11(10-27(15)16)12-7-25-26-19(12)18-13(21)3-2-4-14(18)22/h2-10H,1H3,(H,25,26)
InChIKeyZODOMAUSICZCSU-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.20
Rot. Bonds4

About 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole

2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole (PubChem CID 22031096) has the molecular formula C20H13F2N5O2S2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole
PubChem CID22031096
Molecular FormulaC20H13F2N5O2S2
Molecular Weight457.49 g/mol
Exact Mass457.05
IUPAC Name2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1
InChIInChI=1S/C20H13F2N5O2S2/c1-31(28,29)17-9-24-20(30-17)15-8-23-16-6-5-11(10-27(15)16)12-7-25-26-19(12)18-13(21)3-2-4-14(18)22/h2-10H,1H3,(H,25,26)
InChIKeyZODOMAUSICZCSU-UHFFFAOYSA-N
XLogP4.20
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole?
The IUPAC name of 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole (CID 22031096) is 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole is CS(=O)(=O)c1cnc(-c2cnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cn23)s1.
What is the InChIKey of 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole?
The InChIKey is ZODOMAUSICZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O2S2/c1-31(28,29)17-9-24-20(30-17)15-8-23-16-6-5-11(10-27(15)16)12-7-25-26-19(12)18-13(21)3-2-4-14(18)22/h2-10H,1H3,(H,25,26).
What are the key properties of 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole?
2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole has a molecular weight of 457.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole is sourced from PubChem (CID 22031096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).