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

C22H21FN6O2S — CID 164820340

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(methylsulfonimidoyl)imidazo[1,5-c]pyrimidin-5-amine
SMILES[H]N=S(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c12
InChIInChI=1S/C22H21FN6O2S/c1-13-14(4-3-8-25-13)17-11-27-22(29-12-28-21(20(17)29)32(2,24)30)26-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12,24H,7,9-10H2,1-2H3,(H,26,27)
InChIKeyWEGSRIZDGBZNFD-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.82
Rot. Bonds5

About 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

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 (PubChem CID 164820340) has the molecular formula C22H21FN6O2S and a molecular weight of 452.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(methylsulfonimidoyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID164820340
Molecular FormulaC22H21FN6O2S
Molecular Weight452.52 g/mol
Exact Mass452.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-1-(methylsulfonimidoyl)imidazo[1,5-c]pyrimidin-5-amine
SMILES[H]N=S(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c12
InChIInChI=1S/C22H21FN6O2S/c1-13-14(4-3-8-25-13)17-11-27-22(29-12-28-21(20(17)29)32(2,24)30)26-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12,24H,7,9-10H2,1-2H3,(H,26,27)
InChIKeyWEGSRIZDGBZNFD-UHFFFAOYSA-N
XLogP3.82
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide
CID 155676996
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-a]pyridine-6-carbonitrile
CID 164820419
15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-6,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one
CID 155580132
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
1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 155580049
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-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine
CID 155580127
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
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432883
5-fluoro-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-9,12,14,16-tetrazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one
CID 164820323
8-(6-cyclopropyl-2-methyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121412636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]N=S(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c12.
What is the InChIKey of 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?
The InChIKey is WEGSRIZDGBZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2S/c1-13-14(4-3-8-25-13)17-11-27-22(29-12-28-21(20(17)29)32(2,24)30)26-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12,24H,7,9-10H2,1-2H3,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 452.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164820340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).