8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

C64H63F3N18O3 — CID 157298949

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C23H25FN6O.C21H19FN6O.C20H19FN6O/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-9-26(11-24-12)17-8-23-20(27-10-13(2)25-19(17)27)22-7-15-14-5-6-28-18(14)4-3-16(15)21/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);3-4,8-11H,5-7H2,1-2H3,(H,22,23)
InChIKeyBBQZALZUGPCELD-UHFFFAOYSA-N
MW1189.32 g/mol
LogP11.94
Rot. Bonds13

About 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157298949) has the molecular formula C64H63F3N18O3 and a molecular weight of 1189.32 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID157298949
Molecular FormulaC64H63F3N18O3
Molecular Weight1189.32 g/mol
Exact Mass1188.53
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C23H25FN6O.C21H19FN6O.C20H19FN6O/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-9-26(11-24-12)17-8-23-20(27-10-13(2)25-19(17)27)22-7-15-14-5-6-28-18(14)4-3-16(15)21/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);3-4,8-11H,5-7H2,1-2H3,(H,22,23)
InChIKeyBBQZALZUGPCELD-UHFFFAOYSA-N
XLogP11.94
TPSA211.72 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.32
LogP ≤ 511.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 157298949) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is BBQZALZUGPCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C21H19FN6O.C20H19FN6O/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-9-26(11-24-12)17-8-23-20(27-10-13(2)25-19(17)27)22-7-15-14-5-6-28-18(14)4-3-16(15)21/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);3-4,8-11H,5-7H2,1-2H3,(H,22,23).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1189.32 g/mol, XLogP of 11.94, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-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-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157298949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).