3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

C92H83F4N21O5 — CID 158247454

IUPAC3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C#N)ccc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C#N)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(C)O)c3)c2n1
InChIInChI=1S/2C24H20FN5O.C22H23FN6O2.C22H20FN5O/c1-14-3-4-16(10-26)9-18(14)20-12-28-24(30-13-15(2)29-23(20)30)27-11-19-17-7-8-31-22(17)6-5-21(19)25;1-14-13-30-23(29-14)20(17-5-3-4-16(10-26)15(17)2)12-28-24(30)27-11-19-18-8-9-31-22(18)7-6-21(19)25;1-13-10-29-21(27-13)17(15-7-26-28(12-15)11-14(2)30)8-24-22(29)25-9-18-16-5-6-31-20(16)4-3-19(18)23;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,27,28);3-7,12-13H,8-9,11H2,1-2H3,(H,27,28);3-4,7-8,10,12,14,30H,5-6,9,11H2,1-2H3,(H,24,25);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26)
InChIKeyGGHKHYGCAWKVBG-UHFFFAOYSA-N
MW1638.81 g/mol
LogP16.20
Rot. Bonds18

About 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[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]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158247454) has the molecular formula C92H83F4N21O5 and a molecular weight of 1638.81 g/mol. Its IUPAC name is 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID158247454
Molecular FormulaC92H83F4N21O5
Molecular Weight1638.81 g/mol
Exact Mass1637.68
IUPAC Name3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C#N)ccc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C#N)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(C)O)c3)c2n1
InChIInChI=1S/2C24H20FN5O.C22H23FN6O2.C22H20FN5O/c1-14-3-4-16(10-26)9-18(14)20-12-28-24(30-13-15(2)29-23(20)30)27-11-19-17-7-8-31-22(17)6-5-21(19)25;1-14-13-30-23(29-14)20(17-5-3-4-16(10-26)15(17)2)12-28-24(30)27-11-19-18-8-9-31-22(18)7-6-21(19)25;1-13-10-29-21(27-13)17(15-7-26-28(12-15)11-14(2)30)8-24-22(29)25-9-18-16-5-6-31-20(16)4-3-19(18)23;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,27,28);3-7,12-13H,8-9,11H2,1-2H3,(H,27,28);3-4,7-8,10,12,14,30H,5-6,9,11H2,1-2H3,(H,24,25);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26)
InChIKeyGGHKHYGCAWKVBG-UHFFFAOYSA-N
XLogP16.20
TPSA304.32 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001638.81
LogP ≤ 516.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)-8-(1-(2-hydroxyethyl)-1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 139371093
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
US11091495, Example 65
CID 155788066
US11091495, Example 121
CID 155788077
US11091495, Example 66
CID 155788110
US11091495, Example 101
CID 155788138
US11091495, Example 179
CID 155788150
US11091495, Example 182
CID 155788179
5-[3-[4-Amino-5-[1-[8-amino-1-(6-methoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-3-yl]ethyl]-3-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-5-ium-1-yl]prop-1-enyl]-3-(2,6-difluoro-3-phenylmethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-4-amine
CID 123310586
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
5-[(5-Fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 156050913
8-[5-[(5-Fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]imidazo[1,2-a]pyridine-5-carbonitrile
CID 156093978

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (CID 158247454) is 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C#N)ccc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C#N)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(C)O)c3)c2n1.
What is the InChIKey of 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is GGHKHYGCAWKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20FN5O.C22H23FN6O2.C22H20FN5O/c1-14-3-4-16(10-26)9-18(14)20-12-28-24(30-13-15(2)29-23(20)30)27-11-19-17-7-8-31-22(17)6-5-21(19)25;1-14-13-30-23(29-14)20(17-5-3-4-16(10-26)15(17)2)12-28-24(30)27-11-19-18-8-9-31-22(18)7-6-21(19)25;1-13-10-29-21(27-13)17(15-7-26-28(12-15)11-14(2)30)8-24-22(29)25-9-18-16-5-6-31-20(16)4-3-19(18)23;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23/h3-6,9,12-13H,7-8,11H2,1-2H3,(H,27,28);3-7,12-13H,8-9,11H2,1-2H3,(H,27,28);3-4,7-8,10,12,14,30H,5-6,9,11H2,1-2H3,(H,24,25);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[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]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1638.81 g/mol, XLogP of 16.20, 18 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylbenzonitrile;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-4-methylbenzonitrile;1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]propan-2-ol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).