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

C24H24N6O2S — CID 139355526

IUPAC(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2C2CC2)o1
InChIInChI=1S/C24H24N6O2S/c1-14-28-29-23(32-14)17-13-25-21-20(19(17)16-9-10-16)33-24(27-21)30-11-5-8-18(30)22(31)26-12-15-6-3-2-4-7-15/h2-4,6-7,13,16,18H,5,8-12H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyKYRLVEHOPRXTGD-GOSISDBHSA-N
MW460.56 g/mol
LogP4.21
Rot. Bonds6

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

(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 139355526) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID139355526
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2C2CC2)o1
InChIInChI=1S/C24H24N6O2S/c1-14-28-29-23(32-14)17-13-25-21-20(19(17)16-9-10-16)33-24(27-21)30-11-5-8-18(30)22(31)26-12-15-6-3-2-4-7-15/h2-4,6-7,13,16,18H,5,8-12H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyKYRLVEHOPRXTGD-GOSISDBHSA-N
XLogP4.21
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-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-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 139355526) is (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is Cc1nnc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2C2CC2)o1.
What is the InChIKey of (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is KYRLVEHOPRXTGD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-14-28-29-23(32-14)17-13-25-21-20(19(17)16-9-10-16)33-24(27-21)30-11-5-8-18(30)22(31)26-12-15-6-3-2-4-7-15/h2-4,6-7,13,16,18H,5,8-12H2,1H3,(H,26,31)/t18-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.21, 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-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).