5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C22H23FN6O2S — CID 131985148

IUPAC5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5F)nc4s3)CC2)n1
InChIInChI=1S/C22H23FN6O2S/c1-13(2)19-27-21(31-28-19)29-9-6-14(7-10-29)12-30-22-26-18-4-3-17(25-20(18)32-22)15-5-8-24-11-16(15)23/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3
InChIKeyHUYFYRXSHAENFQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.69
Rot. Bonds6

About 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985148) has the molecular formula C22H23FN6O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131985148
Molecular FormulaC22H23FN6O2S
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC Name5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5F)nc4s3)CC2)n1
InChIInChI=1S/C22H23FN6O2S/c1-13(2)19-27-21(31-28-19)29-9-6-14(7-10-29)12-30-22-26-18-4-3-17(25-20(18)32-22)15-5-8-24-11-16(15)23/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3
InChIKeyHUYFYRXSHAENFQ-UHFFFAOYSA-N
XLogP4.69
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985148) is 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5F)nc4s3)CC2)n1.
What is the InChIKey of 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is HUYFYRXSHAENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2S/c1-13(2)19-27-21(31-28-19)29-9-6-14(7-10-29)12-30-22-26-18-4-3-17(25-20(18)32-22)15-5-8-24-11-16(15)23/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3.
What are the key properties of 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 454.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).