8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H21F3N6O — CID 139370906

IUPAC8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H21F3N6O/c1-33(2)13-19-21(27)7-14(8-22(19)28)17-10-30-25(34-12-15(9-29)32-24(17)34)31-11-18-16-5-6-35-23(16)4-3-20(18)26/h3-4,7-8,10,12H,5-6,11,13H2,1-2H3,(H,30,31)
InChIKeyISXVDIQXEBGFIC-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.29
Rot. Bonds6

About 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139370906) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139370906
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H21F3N6O/c1-33(2)13-19-21(27)7-14(8-22(19)28)17-10-30-25(34-12-15(9-29)32-24(17)34)31-11-18-16-5-6-35-23(16)4-3-20(18)26/h3-4,7-8,10,12H,5-6,11,13H2,1-2H3,(H,30,31)
InChIKeyISXVDIQXEBGFIC-UHFFFAOYSA-N
XLogP4.29
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139370906) is 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)Cc1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is ISXVDIQXEBGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-33(2)13-19-21(27)7-14(8-22(19)28)17-10-30-25(34-12-15(9-29)32-24(17)34)31-11-18-16-5-6-35-23(16)4-3-20(18)26/h3-4,7-8,10,12H,5-6,11,13H2,1-2H3,(H,30,31).
What are the key properties of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 478.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139370906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).