1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

C24H25N5O2S — CID 59577371

IUPAC1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2c[nH]c3cc(Oc4nc5ncccc5s4)ccc23)CC1
InChIInChI=1S/C24H25N5O2S/c30-22-4-2-10-29(22)17-7-11-28(12-8-17)15-16-14-26-20-13-18(5-6-19(16)20)31-24-27-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13-14,17,26H,2,4,7-8,10-12,15H2
InChIKeyXFDAWBUREAHSOC-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.55
Rot. Bonds5

About 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 59577371) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID59577371
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2c[nH]c3cc(Oc4nc5ncccc5s4)ccc23)CC1
InChIInChI=1S/C24H25N5O2S/c30-22-4-2-10-29(22)17-7-11-28(12-8-17)15-16-14-26-20-13-18(5-6-19(16)20)31-24-27-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13-14,17,26H,2,4,7-8,10-12,15H2
InChIKeyXFDAWBUREAHSOC-UHFFFAOYSA-N
XLogP4.55
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (CID 59577371) is 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2c[nH]c3cc(Oc4nc5ncccc5s4)ccc23)CC1.
What is the InChIKey of 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XFDAWBUREAHSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c30-22-4-2-10-29(22)17-7-11-28(12-8-17)15-16-14-26-20-13-18(5-6-19(16)20)31-24-27-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13-14,17,26H,2,4,7-8,10-12,15H2.
What are the key properties of 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 447.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 59577371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).