4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine

C17H15F2N7OS — CID 139344297

IUPAC4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFC(F)c1ccc2ncc(-c3nsc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C17H15F2N7OS/c18-15(19)10-1-2-14-20-7-12(26(14)8-10)16-23-17(28-24-16)25-3-4-27-13(9-25)11-5-21-22-6-11/h1-2,5-8,13,15H,3-4,9H2,(H,21,22)
InChIKeyBDXWDVMKHVJTGX-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.09
Rot. Bonds4

About 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine

4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 139344297) has the molecular formula C17H15F2N7OS and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine
PubChem CID139344297
Molecular FormulaC17H15F2N7OS
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC Name4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFC(F)c1ccc2ncc(-c3nsc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C17H15F2N7OS/c18-15(19)10-1-2-14-20-7-12(26(14)8-10)16-23-17(28-24-16)25-3-4-27-13(9-25)11-5-21-22-6-11/h1-2,5-8,13,15H,3-4,9H2,(H,21,22)
InChIKeyBDXWDVMKHVJTGX-UHFFFAOYSA-N
XLogP3.09
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine (CID 139344297) is 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine is FC(F)c1ccc2ncc(-c3nsc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine?
The InChIKey is BDXWDVMKHVJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7OS/c18-15(19)10-1-2-14-20-7-12(26(14)8-10)16-23-17(28-24-16)25-3-4-27-13(9-25)11-5-21-22-6-11/h1-2,5-8,13,15H,3-4,9H2,(H,21,22).
What are the key properties of 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine?
4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 403.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).