8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

C71H70F3N15O5S — CID 162138954

About 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 162138954) has the molecular formula C71H70F3N15O5S and a molecular weight of 1302.50 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 162138954
• Molecular Formula: C71H70F3N15O5S
• Molecular Weight: 1302.50 g/mol
• Exact Mass: 1301.54
• IUPAC Name: 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn(C)nc3C)c2n1
• InChI: InChI=1S/C27H28FN5O.C23H21FN4O3S.C21H21FN6O/c1-18-16-33-26(31-18)22(20-6-4-19(5-7-20)17-32-11-2-3-12-32)14-29-27(33)30-15-23-21-10-13-34-25(21)9-8-24(23)28;1-14-13-28-22(27-14)18(15-3-5-16(6-4-15)32(2,29)30)11-25-23(28)26-12-19-17-9-10-31-21(17)8-7-20(19)24;1-12-10-28-20(25-12)16(17-11-27(3)26-13(17)2)9-24-21(28)23-8-15-14-6-7-29-19(14)5-4-18(15)22/h4-9,14,16H,2-3,10-13,15,17H2,1H3,(H,29,30);3-8,11,13H,9-10,12H2,1-2H3,(H,25,26);4-5,9-11H,6-8H2,1-3H3,(H,23,24)
• InChIKey: ZJRFCDLQTCWZNP-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 209.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1302.50
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 162138954) is 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn(C)nc3C)c2n1.

What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is ZJRFCDLQTCWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O.C23H21FN4O3S.C21H21FN6O/c1-18-16-33-26(31-18)22(20-6-4-19(5-7-20)17-32-11-2-3-12-32)14-29-27(33)30-15-23-21-10-13-34-25(21)9-8-24(23)28;1-14-13-28-22(27-14)18(15-3-5-16(6-4-15)32(2,29)30)11-25-23(28)26-12-19-17-9-10-31-21(17)8-7-20(19)24;1-12-10-28-20(25-12)16(17-11-27(3)26-13(17)2)9-24-21(28)23-8-15-14-6-7-29-19(14)5-4-18(15)22/h4-9,14,16H,2-3,10-13,15,17H2,1H3,(H,29,30);3-8,11,13H,9-10,12H2,1-2H3,(H,25,26);4-5,9-11H,6-8H2,1-3H3,(H,23,24).

What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1302.50 g/mol, XLogP of 12.21, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-2,3-dihydro-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-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 162138954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).