4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide

C24H24FN5O3S — CID 157135974

IUPAC4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1
InChIInChI=1S/C24H24FN5O3S/c1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,27)
InChIKeyDHSBEKDXTFMHHS-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.64
Rot. Bonds6

About 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 157135974) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID157135974
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1
InChIInChI=1S/C24H24FN5O3S/c1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,27)
InChIKeyDHSBEKDXTFMHHS-UHFFFAOYSA-N
XLogP3.64
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide (CID 157135974) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1.
What is the InChIKey of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is DHSBEKDXTFMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,27).
What are the key properties of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide?
4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 481.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 157135974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).