(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one

C18H20N6O — CID 128971132

IUPAC(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H20N6O/c1-11-18(21-13-7-5-4-6-12(13)20-11)22-14-10-16(25)23(2)17(14)15-8-9-19-24(15)3/h4-9,14,17H,10H2,1-3H3,(H,21,22)/t14-,17-/m1/s1
InChIKeyPCYUDCXKIBGOMN-RHSMWYFYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds3

About (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one

(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one (PubChem CID 128971132) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
PubChem CID128971132
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H20N6O/c1-11-18(21-13-7-5-4-6-12(13)20-11)22-14-10-16(25)23(2)17(14)15-8-9-19-24(15)3/h4-9,14,17H,10H2,1-3H3,(H,21,22)/t14-,17-/m1/s1
InChIKeyPCYUDCXKIBGOMN-RHSMWYFYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]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 (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one (CID 128971132) is (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one is Cc1nc2ccccc2nc1N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C.
What is the InChIKey of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is PCYUDCXKIBGOMN-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-18(21-13-7-5-4-6-12(13)20-11)22-14-10-16(25)23(2)17(14)15-8-9-19-24(15)3/h4-9,14,17H,10H2,1-3H3,(H,21,22)/t14-,17-/m1/s1.
What are the key properties of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one?
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 128971132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).