3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide

C25H20ClFN6O2 — CID 155788180

IUPAC3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
InChIInChI=1S/C25H20ClFN6O2/c1-32(2)24(34)14-3-4-16(20(26)9-14)19-12-30-25(33-13-15(10-28)31-23(19)33)29-11-18-17-7-8-35-22(17)6-5-21(18)27/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,29,30)
InChIKeyBZZOBNQFAQADBL-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.31
Rot. Bonds5

About 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide

3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide (PubChem CID 155788180) has the molecular formula C25H20ClFN6O2 and a molecular weight of 490.93 g/mol. Its IUPAC name is 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
PubChem CID155788180
Molecular FormulaC25H20ClFN6O2
Molecular Weight490.93 g/mol
Exact Mass490.13
IUPAC Name3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
InChIInChI=1S/C25H20ClFN6O2/c1-32(2)24(34)14-3-4-16(20(26)9-14)19-12-30-25(33-13-15(10-28)31-23(19)33)29-11-18-17-7-8-35-22(17)6-5-21(18)27/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,29,30)
InChIKeyBZZOBNQFAQADBL-UHFFFAOYSA-N
XLogP4.31
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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
Mbm-55
CID 137636872
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluorobenzamide
CID 76900675
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-5-ethoxy-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76900862
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901416
4-[7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 137636215
4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(2-fluorophenyl)methoxy]benzamide
CID 137643418
4-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 137648637
4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
CID 137659379
4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
CID 137659636
2-[3-[4-[3-(Tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]isoindole-1,3-dione
CID 145965555
2-[3-[4-[3-(Tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenoxy]propyl]isoindole-1,3-dione
CID 145973792

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide (CID 155788180) is 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?
The InChIKey is BZZOBNQFAQADBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O2/c1-32(2)24(34)14-3-4-16(20(26)9-14)19-12-30-25(33-13-15(10-28)31-23(19)33)29-11-18-17-7-8-35-22(17)6-5-21(18)27/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,29,30).
What are the key properties of 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?
3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide has a molecular weight of 490.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 155788180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).