1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one

C19H23N5O3S — CID 118873758

IUPAC1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one
SMILESCc1cc(=O)n(C)cc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5O3S/c1-12-6-17(25)23(2)9-16(12)28(26,27)10-13-7-14(8-13)24(3)19-15-4-5-20-18(15)21-11-22-19/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyXUBODOZNSMBJOD-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.65
Rot. Bonds5

About 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one

1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one (PubChem CID 118873758) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one
PubChem CID118873758
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one
SMILESCc1cc(=O)n(C)cc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5O3S/c1-12-6-17(25)23(2)9-16(12)28(26,27)10-13-7-14(8-13)24(3)19-15-4-5-20-18(15)21-11-22-19/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyXUBODOZNSMBJOD-UHFFFAOYSA-N
XLogP1.65
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-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

Related Compounds

2-[3-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]phenyl]propan-2-ol
CID 147396738
N-methyl-N-[3-[[4-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868975
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
N-[3-(4-fluorobutylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868867
N-[3-[(5-methoxy-3-pyridinyl)sulfonylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868745
N-methyl-N-[3-[(3-propan-2-yloxyphenyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868991
N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
CID 118868734
N-butyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868847
N-[3-[(4,4-difluoropiperidin-1-yl)sulfonylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78320045
N-(2-methoxyethyl)-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118869013
N-methyl-N-[3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868843
N-[3-[(1-cyclobutylazetidin-3-yl)sulfonylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868822

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one?
The IUPAC name of 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one (CID 118873758) is 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one is Cc1cc(=O)n(C)cc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one?
The InChIKey is XUBODOZNSMBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-6-17(25)23(2)9-16(12)28(26,27)10-13-7-14(8-13)24(3)19-15-4-5-20-18(15)21-11-22-19/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,20,21,22).
What are the key properties of 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one?
1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one has a molecular weight of 401.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfonyl]pyridin-2-one is sourced from PubChem (CID 118873758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).