8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one

C75H70F3N13O6 — CID 160723962

IUPAC8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCCC4=O)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C
InChIInChI=1S/C26H28FN5O.C26H23FN4O2.C23H19FN4O3/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-15-14-31-25(30-15)20(17-5-6-18-16(11-17)3-2-4-23(18)32)12-28-26(31)29-13-21-19-9-10-33-24(19)8-7-22(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30)/i15D2;;
InChIKeyRTLOQFSIEQYOEY-ZWFFIOJKSA-N
MW1308.48 g/mol
LogP13.76
Rot. Bonds15

About 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one

8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 160723962) has the molecular formula C75H70F3N13O6 and a molecular weight of 1308.48 g/mol. Its IUPAC name is 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID160723962
Molecular FormulaC75H70F3N13O6
Molecular Weight1308.48 g/mol
Exact Mass1307.56
IUPAC Name8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCCC4=O)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C
InChIInChI=1S/C26H28FN5O.C26H23FN4O2.C23H19FN4O3/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-15-14-31-25(30-15)20(17-5-6-18-16(11-17)3-2-4-23(18)32)12-28-26(31)29-13-21-19-9-10-33-24(19)8-7-22(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30)/i15D2;;
InChIKeyRTLOQFSIEQYOEY-ZWFFIOJKSA-N
XLogP13.76
TPSA211.96 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.48
LogP ≤ 513.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 160723962) is 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCCC4=O)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C.
What is the InChIKey of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RTLOQFSIEQYOEY-ZWFFIOJKSA-N. The full InChI is InChI=1S/C26H28FN5O.C26H23FN4O2.C23H19FN4O3/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-15-14-31-25(30-15)20(17-5-6-18-16(11-17)3-2-4-23(18)32)12-28-26(31)29-13-21-19-9-10-33-24(19)8-7-22(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30)/i15D2;;.
What are the key properties of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one?
8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 1308.48 g/mol, XLogP of 13.76, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;6-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 160723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).