8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C82H80F6N16O4 — CID 159428602

IUPAC8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCOC1CCN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)C1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)C4)cc3)c2n1
InChIInChI=1S/C28H27FN6O2.C27H26F3N5O.C27H27F2N5O/c1-36-21-8-10-34(17-21)15-18-2-4-19(5-3-18)23-13-31-28(35-16-20(12-30)33-27(23)35)32-14-24-22-9-11-37-26(22)7-6-25(24)29;1-17-14-35-25(33-17)21(19-4-2-18(3-5-19)15-34-10-9-27(29,30)16-34)12-31-26(35)32-13-22-20-8-11-36-24(20)7-6-23(22)28;1-17-14-34-26(32-17)22(19-4-2-18(3-5-19)15-33-10-8-20(28)16-33)12-30-27(34)31-13-23-21-9-11-35-25(21)7-6-24(23)29/h2-7,13,16,21H,8-11,14-15,17H2,1H3,(H,31,32);2-7,12,14H,8-11,13,15-16H2,1H3,(H,31,32);2-7,12,14,20H,8-11,13,15-16H2,1H3,(H,30,31)
InChIKeyLQRQOPDGKPFGPG-UHFFFAOYSA-N
MW1467.64 g/mol
LogP14.34
Rot. Bonds19

About 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159428602) has the molecular formula C82H80F6N16O4 and a molecular weight of 1467.64 g/mol. Its IUPAC name is 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID159428602
Molecular FormulaC82H80F6N16O4
Molecular Weight1467.64 g/mol
Exact Mass1466.65
IUPAC Name8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCOC1CCN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)C1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)C4)cc3)c2n1
InChIInChI=1S/C28H27FN6O2.C27H26F3N5O.C27H27F2N5O/c1-36-21-8-10-34(17-21)15-18-2-4-19(5-3-18)23-13-31-28(35-16-20(12-30)33-27(23)35)32-14-24-22-9-11-37-26(22)7-6-25(24)29;1-17-14-35-25(33-17)21(19-4-2-18(3-5-19)15-34-10-9-27(29,30)16-34)12-31-26(35)32-13-22-20-8-11-36-24(20)7-6-23(22)28;1-17-14-34-26(32-17)22(19-4-2-18(3-5-19)15-33-10-8-20(28)16-33)12-30-27(34)31-13-23-21-9-11-35-25(21)7-6-24(23)29/h2-7,13,16,21H,8-11,14-15,17H2,1H3,(H,31,32);2-7,12,14H,8-11,13,15-16H2,1H3,(H,31,32);2-7,12,14,20H,8-11,13,15-16H2,1H3,(H,30,31)
InChIKeyLQRQOPDGKPFGPG-UHFFFAOYSA-N
XLogP14.34
TPSA197.09 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.64
LogP ≤ 514.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine 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
US10676479, Example 82
CID 139346195
US10676479, Example 81
CID 139346231
8-(4-((Dimethylamino)methyl)-3,5-difluorophenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 139370906
8-(2-((Dimethylamino)methyl)pyrimidin-5-yl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 139371000
US11091495, Example 139
CID 139371908
5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)-8-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 152329158
US11091495, Example 105
CID 155676929
US11091495, Example 136
CID 155676932
5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)-8-(1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155676947
US11220509, Example 213
CID 155676952
8-(6-((Dimethylamino)methyl)-5-fluoro-4-methylpyridin-3-yl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155676957

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 159428602) is 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is COC1CCN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)C1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)C4)cc3)c2n1.
What is the InChIKey of 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is LQRQOPDGKPFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O2.C27H26F3N5O.C27H27F2N5O/c1-36-21-8-10-34(17-21)15-18-2-4-19(5-3-18)23-13-31-28(35-16-20(12-30)33-27(23)35)32-14-24-22-9-11-37-26(22)7-6-25(24)29;1-17-14-35-25(33-17)21(19-4-2-18(3-5-19)15-34-10-9-27(29,30)16-34)12-31-26(35)32-13-22-20-8-11-36-24(20)7-6-23(22)28;1-17-14-34-26(32-17)22(19-4-2-18(3-5-19)15-33-10-8-20(28)16-33)12-30-27(34)31-13-23-21-9-11-35-25(21)7-6-24(23)29/h2-7,13,16,21H,8-11,14-15,17H2,1H3,(H,31,32);2-7,12,14H,8-11,13,15-16H2,1H3,(H,31,32);2-7,12,14,20H,8-11,13,15-16H2,1H3,(H,30,31).
What are the key properties of 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1467.64 g/mol, XLogP of 14.34, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159428602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).