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

C26H25FN6O — CID 139370710

IUPAC8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCc1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
InChIInChI=1S/C26H25FN6O/c1-32(2)10-8-17-4-3-5-18(12-17)21-14-29-26(33-16-19(13-28)31-25(21)33)30-15-22-20-9-11-34-24(20)7-6-23(22)27/h3-7,12,14,16H,8-11,15H2,1-2H3,(H,29,30)
InChIKeyFJGUSPHJPZYYAJ-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.06
Rot. Bonds7

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

8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139370710) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139370710
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCc1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
InChIInChI=1S/C26H25FN6O/c1-32(2)10-8-17-4-3-5-18(12-17)21-14-29-26(33-16-19(13-28)31-25(21)33)30-15-22-20-9-11-34-24(20)7-6-23(22)27/h3-7,12,14,16H,8-11,15H2,1-2H3,(H,29,30)
InChIKeyFJGUSPHJPZYYAJ-UHFFFAOYSA-N
XLogP4.06
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Mak-683
CID 121412508
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
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
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139370710) is 8-[3-[2-(dimethylamino)ethyl]phenyl]-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-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCc1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1.
What is the InChIKey of 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is FJGUSPHJPZYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-32(2)10-8-17-4-3-5-18(12-17)21-14-29-26(33-16-19(13-28)31-25(21)33)30-15-22-20-9-11-34-24(20)7-6-23(22)27/h3-7,12,14,16H,8-11,15H2,1-2H3,(H,29,30).
What are the key properties of 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 456.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-(dimethylamino)ethyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139370710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).