N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine

C23H18F4N4O3S — CID 164820438

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H18F4N4O3S/c1-35(32,33)14-4-2-13(3-5-14)16-10-28-22(31-12-30-21(20(16)31)23(25,26)27)29-11-17-15-8-9-34-19(15)7-6-18(17)24/h2-7,10,12H,8-9,11H2,1H3,(H,28,29)
InChIKeyHMJZVVSVTGBJJU-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.50
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 164820438) has the molecular formula C23H18F4N4O3S and a molecular weight of 506.48 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID164820438
Molecular FormulaC23H18F4N4O3S
Molecular Weight506.48 g/mol
Exact Mass506.10
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H18F4N4O3S/c1-35(32,33)14-4-2-13(3-5-14)16-10-28-22(31-12-30-21(20(16)31)23(25,26)27)29-11-17-15-8-9-34-19(15)7-6-18(17)24/h2-7,10,12H,8-9,11H2,1H3,(H,28,29)
InChIKeyHMJZVVSVTGBJJU-UHFFFAOYSA-N
XLogP4.50
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-8-yl]pyridine-2-carboxylate
CID 177144641
1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 155580049
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(methylsulfonimidoyl)imidazo[1,5-c]pyrimidin-5-amine
CID 164820340
1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
CID 164982452
1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone
CID 167633512
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432982
9-(2,2-difluoropropyl)-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(trifluoromethyl)-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2,4,6,11(18),12,15-heptaen-10-one
CID 156621368
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432929
CID 155580036
CID 155580036
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzoic acid
CID 155788112
ethyl 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxylate
CID 139346167
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-fluoro-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432858

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine (CID 164820438) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine is CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(F)(F)F)c23)cc1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is HMJZVVSVTGBJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O3S/c1-35(32,33)14-4-2-13(3-5-14)16-10-28-22(31-12-30-21(20(16)31)23(25,26)27)29-11-17-15-8-9-34-19(15)7-6-18(17)24/h2-7,10,12H,8-9,11H2,1H3,(H,28,29).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 506.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylsulfonylphenyl)-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 164820438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).