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-phenylpropan-1-one

C22H21N5O2S — CID 162068822

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-phenylpropan-1-one
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4)sc3c2)o1
InChIInChI=1S/C22H21N5O2S/c1-14-25-26-21(29-14)16-12-19-20(23-13-16)24-22(30-19)27-11-5-8-17(27)18(28)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,17H,5,8-11H2,1H3/t17-/m1/s1
InChIKeyZAUNVQVDZYUAAN-QGZVFWFLSA-N
MW419.51 g/mol
LogP4.22
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-phenylpropan-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-phenylpropan-1-one (PubChem CID 162068822) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 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-phenylpropan-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-phenylpropan-1-one
PubChem CID162068822
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
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-phenylpropan-1-one
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4)sc3c2)o1
InChIInChI=1S/C22H21N5O2S/c1-14-25-26-21(29-14)16-12-19-20(23-13-16)24-22(30-19)27-11-5-8-17(27)18(28)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,17H,5,8-11H2,1H3/t17-/m1/s1
InChIKeyZAUNVQVDZYUAAN-QGZVFWFLSA-N
XLogP4.22
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.22
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-phenylpropan-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-phenylpropan-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-phenylpropan-1-one (CID 162068822) 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-phenylpropan-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-phenylpropan-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-phenylpropan-1-one is Cc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)CCc4ccccc4)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-phenylpropan-1-one?
The InChIKey is ZAUNVQVDZYUAAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-14-25-26-21(29-14)16-12-19-20(23-13-16)24-22(30-19)27-11-5-8-17(27)18(28)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,17H,5,8-11H2,1H3/t17-/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-phenylpropan-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-phenylpropan-1-one has a molecular weight of 419.51 g/mol, XLogP of 4.22, 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-phenylpropan-1-one is sourced from PubChem (CID 162068822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).