N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

C68H65F3N16O4 — CID 157273244

IUPACN-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn(C(C)C)nc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cccnc3C)c2n1
InChIInChI=1S/C23H25FN6O.C23H22FN5O2.C22H18FN5O/c1-13(2)30-12-19(15(4)28-30)18-10-26-23(29-11-14(3)27-22(18)29)25-9-17-16-7-8-31-21(16)6-5-20(17)24;1-13-8-21(30-3)25-9-16(13)18-11-27-23(29-12-14(2)28-22(18)29)26-10-17-15-6-7-31-20(15)5-4-19(17)24;1-13-12-28-21(27-13)18(15-4-3-8-24-14(15)2)11-26-22(28)25-10-17-16-7-9-29-20(16)6-5-19(17)23/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-9,11-12H,10H2,1-2H3,(H,25,26)
InChIKeyAYUATFFVMKAJSK-UHFFFAOYSA-N
MW1227.37 g/mol
LogP13.49
Rot. Bonds14

About N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157273244) has the molecular formula C68H65F3N16O4 and a molecular weight of 1227.37 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID157273244
Molecular FormulaC68H65F3N16O4
Molecular Weight1227.37 g/mol
Exact Mass1226.53
IUPAC NameN-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn(C(C)C)nc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cccnc3C)c2n1
InChIInChI=1S/C23H25FN6O.C23H22FN5O2.C22H18FN5O/c1-13(2)30-12-19(15(4)28-30)18-10-26-23(29-11-14(3)27-22(18)29)25-9-17-16-7-8-31-21(16)6-5-20(17)24;1-13-8-21(30-3)25-9-16(13)18-11-27-23(29-12-14(2)28-22(18)29)26-10-17-15-6-7-31-20(15)5-4-19(17)24;1-13-12-28-21(27-13)18(15-4-3-8-24-14(15)2)11-26-22(28)25-10-17-16-7-9-29-20(16)6-5-19(17)23/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-9,11-12H,10H2,1-2H3,(H,25,26)
InChIKeyAYUATFFVMKAJSK-UHFFFAOYSA-N
XLogP13.49
TPSA211.09 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms91
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.37
LogP ≤ 513.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-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 N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 157273244) is N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn(C(C)C)nc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cccnc3C)c2n1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is AYUATFFVMKAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C23H22FN5O2.C22H18FN5O/c1-13(2)30-12-19(15(4)28-30)18-10-26-23(29-11-14(3)27-22(18)29)25-9-17-16-7-8-31-21(16)6-5-20(17)24;1-13-8-21(30-3)25-9-16(13)18-11-27-23(29-12-14(2)28-22(18)29)26-10-17-15-6-7-31-20(15)5-4-19(17)24;1-13-12-28-21(27-13)18(15-4-3-8-24-14(15)2)11-26-22(28)25-10-17-16-7-9-29-20(16)6-5-19(17)23/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-9,11-12H,10H2,1-2H3,(H,25,26).
What are the key properties of N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1227.37 g/mol, XLogP of 13.49, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-4-methyl-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157273244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).