(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

C20H25N5O3S — CID 125001379

IUPAC(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H25N5O3S/c1-14-17-11-18(26)25(12-15-7-5-4-6-8-15)20(17)22-19(21-14)16-9-10-24(13-16)29(27,28)23(2)3/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1
InChIKeySCWRIAHFHCIJEI-MRXNPFEDSA-N
MW415.52 g/mol
LogP1.47
Rot. Bonds5

About (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 125001379) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID125001379
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H25N5O3S/c1-14-17-11-18(26)25(12-15-7-5-4-6-8-15)20(17)22-19(21-14)16-9-10-24(13-16)29(27,28)23(2)3/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1
InChIKeySCWRIAHFHCIJEI-MRXNPFEDSA-N
XLogP1.47
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide 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-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 125001379) is (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide is Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2Cc1ccccc1.
What is the InChIKey of (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is SCWRIAHFHCIJEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-14-17-11-18(26)25(12-15-7-5-4-6-8-15)20(17)22-19(21-14)16-9-10-24(13-16)29(27,28)23(2)3/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
(3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 125001379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).