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

C71H70F4N16O5S — CID 160935153

IUPAC8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N(C)C)nc3)c2n1
InChIInChI=1S/C25H25F2N5O.C23H23FN6O.C23H22FN5O3S/c1-15-13-32-24(30-15)20(17-5-4-16(10-22(17)27)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-21(19)26;1-14-13-30-22(28-14)17(15-4-7-21(25-10-15)29(2)3)11-26-23(30)27-12-18-16-8-9-31-20(16)6-5-19(18)24;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)33(30,31)25-2)11-26-23(29)27-12-19-17-9-10-32-21(17)8-7-20(19)24/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29);4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,27);3-8,11,13,25H,9-10,12H2,1-2H3,(H,26,27)
InChIKeySTTYMSZWOXFVTN-UHFFFAOYSA-N
MW1335.51 g/mol
LogP11.74
Rot. Bonds17

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

8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide (PubChem CID 160935153) has the molecular formula C71H70F4N16O5S and a molecular weight of 1335.51 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide
PubChem CID160935153
Molecular FormulaC71H70F4N16O5S
Molecular Weight1335.51 g/mol
Exact Mass1334.54
IUPAC Name8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N(C)C)nc3)c2n1
InChIInChI=1S/C25H25F2N5O.C23H23FN6O.C23H22FN5O3S/c1-15-13-32-24(30-15)20(17-5-4-16(10-22(17)27)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-21(19)26;1-14-13-30-22(28-14)17(15-4-7-21(25-10-15)29(2)3)11-26-23(30)27-12-18-16-8-9-31-20(16)6-5-19(18)24;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)33(30,31)25-2)11-26-23(29)27-12-19-17-9-10-32-21(17)8-7-20(19)24/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29);4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,27);3-8,11,13,25H,9-10,12H2,1-2H3,(H,26,27)
InChIKeySTTYMSZWOXFVTN-UHFFFAOYSA-N
XLogP11.74
TPSA219.89 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.51
LogP ≤ 511.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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

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Related Compounds

US10676479, Example 112
CID 139346151
US10676479, Example 18
CID 139346176
US10676479, Example 23
CID 139346188
US11091495, Example 59
CID 155788015
US11091495, Example 58
CID 155788121
US11091495, Example 48
CID 155788140
US11091495, Example 47
CID 155788155
US12252493, Example 13
CID 155369215
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-[[[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-1-iodoimidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]methyldisulfanyl]methyl]-6-methyl-3-pyridinyl]-1-iodoimidazo[1,5-c]pyrimidin-5-amine
CID 155580106
8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzothiophen-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
CID 157088223
4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide
CID 157135974
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 157455809

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide (CID 160935153) is 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N(C)C)nc3)c2n1.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide?
The InChIKey is STTYMSZWOXFVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.C23H23FN6O.C23H22FN5O3S/c1-15-13-32-24(30-15)20(17-5-4-16(10-22(17)27)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-21(19)26;1-14-13-30-22(28-14)17(15-4-7-21(25-10-15)29(2)3)11-26-23(30)27-12-18-16-8-9-31-20(16)6-5-19(18)24;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)33(30,31)25-2)11-26-23(29)27-12-19-17-9-10-32-21(17)8-7-20(19)24/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29);4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,27);3-8,11,13,25H,9-10,12H2,1-2H3,(H,26,27).
What are the key properties of 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide?
8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide has a molecular weight of 1335.51 g/mol, XLogP of 11.74, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]-2-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 160935153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).