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

C25H21ClF2N6O — CID 155788069

IUPAC8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1F
InChIInChI=1S/C25H21ClF2N6O/c1-33(2)12-14-3-4-17(22(26)23(14)28)19-11-31-25(34-13-15(9-29)32-24(19)34)30-10-18-16-7-8-35-21(16)6-5-20(18)27/h3-6,11,13H,7-8,10,12H2,1-2H3,(H,30,31)
InChIKeyDKIXRKPUWWZSJK-UHFFFAOYSA-N
MW494.93 g/mol
LogP4.81
Rot. Bonds6

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

8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788069) has the molecular formula C25H21ClF2N6O and a molecular weight of 494.93 g/mol. Its IUPAC name is 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788069
Molecular FormulaC25H21ClF2N6O
Molecular Weight494.93 g/mol
Exact Mass494.14
IUPAC Name8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1F
InChIInChI=1S/C25H21ClF2N6O/c1-33(2)12-14-3-4-17(22(26)23(14)28)19-11-31-25(34-13-15(9-29)32-24(19)34)30-10-18-16-7-8-35-21(16)6-5-20(18)27/h3-6,11,13H,7-8,10,12H2,1-2H3,(H,30,31)
InChIKeyDKIXRKPUWWZSJK-UHFFFAOYSA-N
XLogP4.81
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.93
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788069) is 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-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-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1F.
What is the InChIKey of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is DKIXRKPUWWZSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O/c1-33(2)12-14-3-4-17(22(26)23(14)28)19-11-31-25(34-13-15(9-29)32-24(19)34)30-10-18-16-7-8-35-21(16)6-5-20(18)27/h3-6,11,13H,7-8,10,12H2,1-2H3,(H,30,31).
What are the key properties of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 494.93 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).