8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

C72H71F3N16O5 — CID 160751088

IUPAC8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CCN4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4COCCN4C)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C27H28FN5O2.C25H24FN5O.C20H19FN6O2/c1-17-15-33-26(31-17)21(18-3-5-19(6-4-18)24-16-34-12-10-32(24)2)13-29-27(33)30-14-22-20-9-11-35-25(20)8-7-23(22)28;1-15-14-31-24(30-15)19(16-2-4-17(5-3-16)22-8-10-27-22)12-28-25(31)29-13-20-18-9-11-32-23(18)7-6-21(20)26;1-11-6-16(26(3)25-11)14-8-23-20(27-9-12(2)24-19(14)27)22-7-13-15(21)4-5-17-18(13)29-10-28-17/h3-8,13,15,24H,9-12,14,16H2,1-2H3,(H,29,30);2-7,12,14,22,27H,8-11,13H2,1H3,(H,28,29);4-6,8-9H,7,10H2,1-3H3,(H,22,23)
InChIKeyRWVDTRHLSDABJQ-UHFFFAOYSA-N
MW1297.46 g/mol
LogP12.05
Rot. Bonds14

About 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 160751088) has the molecular formula C72H71F3N16O5 and a molecular weight of 1297.46 g/mol. Its IUPAC name is 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID160751088
Molecular FormulaC72H71F3N16O5
Molecular Weight1297.46 g/mol
Exact Mass1296.57
IUPAC Name8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CCN4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4COCCN4C)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C27H28FN5O2.C25H24FN5O.C20H19FN6O2/c1-17-15-33-26(31-17)21(18-3-5-19(6-4-18)24-16-34-12-10-32(24)2)13-29-27(33)30-14-22-20-9-11-35-25(20)8-7-23(22)28;1-15-14-31-24(30-15)19(16-2-4-17(5-3-16)22-8-10-27-22)12-28-25(31)29-13-20-18-9-11-32-23(18)7-6-21(20)26;1-11-6-16(26(3)25-11)14-8-23-20(27-9-12(2)24-19(14)27)22-7-13-15(21)4-5-17-18(13)29-10-28-17/h3-8,13,15,24H,9-12,14,16H2,1-2H3,(H,29,30);2-7,12,14,22,27H,8-11,13H2,1H3,(H,28,29);4-6,8-9H,7,10H2,1-3H3,(H,22,23)
InChIKeyRWVDTRHLSDABJQ-UHFFFAOYSA-N
XLogP12.05
TPSA205.90 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms96
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.46
LogP ≤ 512.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 160751088) is 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CCN4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4COCCN4C)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is RWVDTRHLSDABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2.C25H24FN5O.C20H19FN6O2/c1-17-15-33-26(31-17)21(18-3-5-19(6-4-18)24-16-34-12-10-32(24)2)13-29-27(33)30-14-22-20-9-11-35-25(20)8-7-23(22)28;1-15-14-31-24(30-15)19(16-2-4-17(5-3-16)22-8-10-27-22)12-28-25(31)29-13-20-18-9-11-32-23(18)7-6-21(20)26;1-11-6-16(26(3)25-11)14-8-23-20(27-9-12(2)24-19(14)27)22-7-13-15(21)4-5-17-18(13)29-10-28-17/h3-8,13,15,24H,9-12,14,16H2,1-2H3,(H,29,30);2-7,12,14,22,27H,8-11,13H2,1H3,(H,28,29);4-6,8-9H,7,10H2,1-3H3,(H,22,23).
What are the key properties of 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1297.46 g/mol, XLogP of 12.05, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(azetidin-2-yl)phenyl]-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-1,3-benzodioxol-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-(4-methylmorpholin-3-yl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 160751088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).