(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

C21H19N5O2S — CID 164607783

IUPAC(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCc1ccc(-c2csc(-c3c[nH]c4nccnc34)n2)cc1[C@]1(O)CCN(C)C1=O
InChIInChI=1S/C21H19N5O2S/c1-12-3-4-13(9-15(12)21(28)5-8-26(2)20(21)27)16-11-29-19(25-16)14-10-24-18-17(14)22-6-7-23-18/h3-4,6-7,9-11,28H,5,8H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyRWXDSQBIZLYXBH-OAQYLSRUSA-N
MW405.48 g/mol
LogP3.11
Rot. Bonds3

About (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (PubChem CID 164607783) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
PubChem CID164607783
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCc1ccc(-c2csc(-c3c[nH]c4nccnc34)n2)cc1[C@]1(O)CCN(C)C1=O
InChIInChI=1S/C21H19N5O2S/c1-12-3-4-13(9-15(12)21(28)5-8-26(2)20(21)27)16-11-29-19(25-16)14-10-24-18-17(14)22-6-7-23-18/h3-4,6-7,9-11,28H,5,8H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyRWXDSQBIZLYXBH-OAQYLSRUSA-N
XLogP3.11
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (CID 164607783) is (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is Cc1ccc(-c2csc(-c3c[nH]c4nccnc34)n2)cc1[C@]1(O)CCN(C)C1=O.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The InChIKey is RWXDSQBIZLYXBH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-3-4-13(9-15(12)21(28)5-8-26(2)20(21)27)16-11-29-19(25-16)14-10-24-18-17(14)22-6-7-23-18/h3-4,6-7,9-11,28H,5,8H2,1-2H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one has a molecular weight of 405.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[2-methyl-5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 164607783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).