2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C74H70F8N16O4 — CID 157222469

IUPAC2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1
InChIInChI=1S/C25H22F3N5O2.C25H24F3N5O.C24H24F2N6O/c1-13-12-33-23(31-13)18(15-8-21(28)16(9-20(15)27)24(34)32(2)3)11-30-25(33)29-10-17-14-6-7-35-22(14)5-4-19(17)26;1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,29,30);4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29)
InChIKeyATDQEHNZEFAWFG-UHFFFAOYSA-N
MW1399.47 g/mol
LogP13.09
Rot. Bonds17

About 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157222469) has the molecular formula C74H70F8N16O4 and a molecular weight of 1399.47 g/mol. Its IUPAC name is 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID157222469
Molecular FormulaC74H70F8N16O4
Molecular Weight1399.47 g/mol
Exact Mass1398.56
IUPAC Name2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1
InChIInChI=1S/C25H22F3N5O2.C25H24F3N5O.C24H24F2N6O/c1-13-12-33-23(31-13)18(15-8-21(28)16(9-20(15)27)24(34)32(2)3)11-30-25(33)29-10-17-14-6-7-35-22(14)5-4-19(17)26;1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,29,30);4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29)
InChIKeyATDQEHNZEFAWFG-UHFFFAOYSA-N
XLogP13.09
TPSA194.03 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.47
LogP ≤ 513.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76900861
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-[3-[(6R,8aS)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901604
4-[3-[(6R,8aS)-1,1-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90282970
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283062
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-ethoxy-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283564
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283602
US10040805, Example 3
CID 121455013
US10040805, Example 18
CID 121455017

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 157222469) is 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1.
What is the InChIKey of 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is ATDQEHNZEFAWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C25H24F3N5O.C24H24F2N6O/c1-13-12-33-23(31-13)18(15-8-21(28)16(9-20(15)27)24(34)32(2)3)11-30-25(33)29-10-17-14-6-7-35-22(14)5-4-19(17)26;1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,29,30);4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29).
What are the key properties of 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1399.47 g/mol, XLogP of 13.09, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157222469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).