1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one

C26H30N8O3S — CID 131985317

IUPAC1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(N6CCNC6=O)nc5)nc4s3)CC2)n1
InChIInChI=1S/C26H30N8O3S/c1-15(2)22-31-25(37-32-22)33-11-8-17(9-12-33)16(3)36-26-30-20-6-5-19(29-23(20)38-26)18-4-7-21(28-14-18)34-13-10-27-24(34)35/h4-7,14-17H,8-13H2,1-3H3,(H,27,35)
InChIKeyXFNJGZZAWSWICO-UHFFFAOYSA-N
MW534.65 g/mol
LogP4.47
Rot. Bonds7

About 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one

1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 131985317) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one
PubChem CID131985317
Molecular FormulaC26H30N8O3S
Molecular Weight534.65 g/mol
Exact Mass534.22
IUPAC Name1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(N6CCNC6=O)nc5)nc4s3)CC2)n1
InChIInChI=1S/C26H30N8O3S/c1-15(2)22-31-25(37-32-22)33-11-8-17(9-12-33)16(3)36-26-30-20-6-5-19(29-23(20)38-26)18-4-7-21(28-14-18)34-13-10-27-24(34)35/h4-7,14-17H,8-13H2,1-3H3,(H,27,35)
InChIKeyXFNJGZZAWSWICO-UHFFFAOYSA-N
XLogP4.47
TPSA122.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one (CID 131985317) is 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(N6CCNC6=O)nc5)nc4s3)CC2)n1.
What is the InChIKey of 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is XFNJGZZAWSWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-15(2)22-31-25(37-32-22)33-11-8-17(9-12-33)16(3)36-26-30-20-6-5-19(29-23(20)38-26)18-4-7-21(28-14-18)34-13-10-27-24(34)35/h4-7,14-17H,8-13H2,1-3H3,(H,27,35).
What are the key properties of 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one?
1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 534.65 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 131985317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).