1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one

C23H23N5O2S — CID 159499535

IUPAC1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4C)sc3c2)o1
InChIInChI=1S/C23H23N5O2S/c1-14-6-3-4-7-16(14)9-10-19(29)18-8-5-11-28(18)23-25-21-20(31-23)12-17(13-24-21)22-27-26-15(2)30-22/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3/t18-/m1/s1
InChIKeyLZFAFHQFDVZQON-GOSISDBHSA-N
MW433.54 g/mol
LogP4.53
Rot. Bonds6

About 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one

1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 159499535) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID159499535
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4C)sc3c2)o1
InChIInChI=1S/C23H23N5O2S/c1-14-6-3-4-7-16(14)9-10-19(29)18-8-5-11-28(18)23-25-21-20(31-23)12-17(13-24-21)22-27-26-15(2)30-22/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3/t18-/m1/s1
InChIKeyLZFAFHQFDVZQON-GOSISDBHSA-N
XLogP4.53
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one (CID 159499535) is 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one is Cc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4C)sc3c2)o1.
What is the InChIKey of 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is LZFAFHQFDVZQON-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-6-3-4-7-16(14)9-10-19(29)18-8-5-11-28(18)23-25-21-20(31-23)12-17(13-24-21)22-27-26-15(2)30-22/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one?
1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 433.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 159499535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).