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

C22H24N6O2S — CID 131985147

IUPAC3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1
InChIInChI=1S/C22H24N6O2S/c1-14(2)19-26-21(30-27-19)28-11-7-15(8-12-28)13-29-22-25-18-4-3-17(24-20(18)31-22)16-5-9-23-10-6-16/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyKEQJUPXRNQFCLN-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.56
Rot. Bonds6

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

3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985147) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID131985147
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1
InChIInChI=1S/C22H24N6O2S/c1-14(2)19-26-21(30-27-19)28-11-7-15(8-12-28)13-29-22-25-18-4-3-17(24-20(18)31-22)16-5-9-23-10-6-16/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyKEQJUPXRNQFCLN-UHFFFAOYSA-N
XLogP4.56
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985147) is 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(COc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is KEQJUPXRNQFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-14(2)19-26-21(30-27-19)28-11-7-15(8-12-28)13-29-22-25-18-4-3-17(24-20(18)31-22)16-5-9-23-10-6-16/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 436.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxymethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).