4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide

C22H20F2N4O3S — CID 135249545

IUPAC4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1
InChIInChI=1S/C22H20F2N4O3S/c23-22(24)27-14-17(12-26-27)15-4-6-16(7-5-15)19-13-25-20-2-1-3-21(28(19)20)31-18-8-10-32(29,30)11-9-18/h1-7,12-14,18,22H,8-11H2
InChIKeyFOFPDHDAFYUVAU-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.22
Rot. Bonds5

About 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide (PubChem CID 135249545) has the molecular formula C22H20F2N4O3S and a molecular weight of 458.49 g/mol. Its IUPAC name is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide
PubChem CID135249545
Molecular FormulaC22H20F2N4O3S
Molecular Weight458.49 g/mol
Exact Mass458.12
IUPAC Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1
InChIInChI=1S/C22H20F2N4O3S/c23-22(24)27-14-17(12-26-27)15-4-6-16(7-5-15)19-13-25-20-2-1-3-21(28(19)20)31-18-8-10-32(29,30)11-9-18/h1-7,12-14,18,22H,8-11H2
InChIKeyFOFPDHDAFYUVAU-UHFFFAOYSA-N
XLogP4.22
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide?
The IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide (CID 135249545) is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide.
What is the SMILES notation for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide?
The canonical SMILES for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide is O=S1(=O)CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.
What is the InChIKey of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide?
The InChIKey is FOFPDHDAFYUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3S/c23-22(24)27-14-17(12-26-27)15-4-6-16(7-5-15)19-13-25-20-2-1-3-21(28(19)20)31-18-8-10-32(29,30)11-9-18/h1-7,12-14,18,22H,8-11H2.
What are the key properties of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide?
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide has a molecular weight of 458.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxythiane 1,1-dioxide is sourced from PubChem (CID 135249545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).