(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

C23H24N6O2S — CID 139355790

IUPAC(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCCc1c(-c2nc(C)no2)cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C23H24N6O2S/c1-3-16-17(22-26-14(2)28-31-22)13-24-20-19(16)32-23(27-20)29-11-7-10-18(29)21(30)25-12-15-8-5-4-6-9-15/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyIJWSKOYVUUFDAP-GOSISDBHSA-N
MW448.55 g/mol
LogP3.90
Rot. Bonds6

About (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 139355790) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID139355790
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCCc1c(-c2nc(C)no2)cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C23H24N6O2S/c1-3-16-17(22-26-14(2)28-31-22)13-24-20-19(16)32-23(27-20)29-11-7-10-18(29)21(30)25-12-15-8-5-4-6-9-15/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyIJWSKOYVUUFDAP-GOSISDBHSA-N
XLogP3.90
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 139355790) is (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is CCc1c(-c2nc(C)no2)cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12.
What is the InChIKey of (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is IJWSKOYVUUFDAP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-3-16-17(22-26-14(2)28-31-22)13-24-20-19(16)32-23(27-20)29-11-7-10-18(29)21(30)25-12-15-8-5-4-6-9-15/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3,(H,25,30)/t18-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).