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

C22H20FN5O3S — CID 158293309

IUPAC4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C22H20FN5O3S/c1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23/h2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyZXOVHJCQAYOPGN-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.04
Rot. Bonds5

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

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide (PubChem CID 158293309) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 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]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
PubChem CID158293309
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C22H20FN5O3S/c1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23/h2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyZXOVHJCQAYOPGN-UHFFFAOYSA-N
XLogP3.04
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 146681125
8-(6-cyclopropylpyridin-3-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
CID 146681126
2-Benzyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 42641405
US10676479, Example 100
CID 139346201
US10676479, Example 10
CID 139346214
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 155580147
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156011318
8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156012299
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-(6-methylsulfonyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
CID 156015361
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-fluorophenyl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156017802
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156017861

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]benzenesulfonamide?
The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide (CID 158293309) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide.
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]benzenesulfonamide?
The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)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]benzenesulfonamide?
The InChIKey is ZXOVHJCQAYOPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23/h2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30).
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]benzenesulfonamide?
4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide has a molecular weight of 453.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 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]benzenesulfonamide is sourced from PubChem (CID 158293309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).