3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole

C143H130F3N23O7S — CID 158806524

About 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole

3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole (PubChem CID 158806524) has the molecular formula C143H130F3N23O7S and a molecular weight of 2371.83 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole
• PubChem CID: 158806524
• Molecular Formula: C143H130F3N23O7S
• Molecular Weight: 2371.83 g/mol
• Exact Mass: 2370.02
• IUPAC Name: 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole
• SMILES: CC(Cc1cccs1)NC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CC2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccncc4)cc(F)c3C1)CC2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4cn[nH]c4)cc(F)c3C1)CC2.O[C@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.c1cc2c(cc1-c1cn[nH]c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2
• InChI: InChI=1S/C29H27N5O2S.C25H23FN2O.C24H23FN4O.C23H22FN3O.C22H18N6O.C20H17N3O/c1-17(11-23-3-2-10-37-23)32-28(35)20-6-7-27-21(12-20)13-22(16-36-27)26-15-19-5-4-18(14-25(19)33-26)24-8-9-31-29(30)34-24;1-2-29-21-6-5-16-3-4-18(11-19(16)12-21)24-15-22-23(26)13-20(14-25(22)28-24)17-7-9-27-10-8-17;1-2-30-18-6-5-14-3-4-15(9-16(14)10-18)22-13-19-20(25)11-17(12-23(19)28-22)21-7-8-27-24(26)29-21;1-2-28-19-6-5-14-3-4-15(7-16(14)8-19)22-11-20-21(24)9-17(10-23(20)27-22)18-12-25-26-13-18;1-3-19-20(7-14(1)18-10-25-26-11-18)28-22(27-19)16-6-15-5-13(17-8-23-24-9-17)2-4-21(15)29-12-16;24-19(12-14-4-2-1-3-5-14)20-22-17-7-6-16(13-18(17)23-20)15-8-10-21-11-9-15/h2-10,12,14,17,22H,11,13,15-16H2,1H3,(H,32,35)(H2,30,31,34);5-10,12-14,18H,2-4,11,15H2,1H3;5-8,10-12,15H,2-4,9,13H2,1H3,(H2,26,27,29);5-6,8-10,12-13,15H,2-4,7,11H2,1H3,(H,25,26);1-5,7-11,16H,6,12H2,(H,23,24)(H,25,26)(H,27,28);1-11,13,19,24H,12H2,(H,22,23)/t;;;;;19-/m.....1/s1
• InChIKey: IUDINGFILNNTMK-PYJSRRPNSA-N
• XLogP: 28.46
• TPSA: 417.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.83
LogP ≤ 5	28.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole?

The IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole (CID 158806524) is 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole.

What is the SMILES notation for 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole?

The canonical SMILES for 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole is CC(Cc1cccs1)NC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CC2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccncc4)cc(F)c3C1)CC2.CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4cn[nH]c4)cc(F)c3C1)CC2.O[C@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.c1cc2c(cc1-c1cn[nH]c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2.

What is the InChIKey of 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole?

The InChIKey is IUDINGFILNNTMK-PYJSRRPNSA-N. The full InChI is InChI=1S/C29H27N5O2S.C25H23FN2O.C24H23FN4O.C23H22FN3O.C22H18N6O.C20H17N3O/c1-17(11-23-3-2-10-37-23)32-28(35)20-6-7-27-21(12-20)13-22(16-36-27)26-15-19-5-4-18(14-25(19)33-26)24-8-9-31-29(30)34-24;1-2-29-21-6-5-16-3-4-18(11-19(16)12-21)24-15-22-23(26)13-20(14-25(22)28-24)17-7-9-27-10-8-17;1-2-30-18-6-5-14-3-4-15(9-16(14)10-18)22-13-19-20(25)11-17(12-23(19)28-22)21-7-8-27-24(26)29-21;1-2-28-19-6-5-14-3-4-15(7-16(14)8-19)22-11-20-21(24)9-17(10-23(20)27-22)18-12-25-26-13-18;1-3-19-20(7-14(1)18-10-25-26-11-18)28-22(27-19)16-6-15-5-13(17-8-23-24-9-17)2-4-21(15)29-12-16;24-19(12-14-4-2-1-3-5-14)20-22-17-7-6-16(13-18(17)23-20)15-8-10-21-11-9-15/h2-10,12,14,17,22H,11,13,15-16H2,1H3,(H,32,35)(H2,30,31,34);5-10,12-14,18H,2-4,11,15H2,1H3;5-8,10-12,15H,2-4,9,13H2,1H3,(H2,26,27,29);5-6,8-10,12-13,15H,2-4,7,11H2,1H3,(H,25,26);1-5,7-11,16H,6,12H2,(H,23,24)(H,25,26)(H,27,28);1-11,13,19,24H,12H2,(H,22,23)/t;;;;;19-/m.....1/s1.

What are the key properties of 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole?

3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole has a molecular weight of 2371.83 g/mol, XLogP of 28.46, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(1-thiophen-2-ylpropan-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide;4-[2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-3H-indol-6-yl]pyrimidin-2-amine;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole;2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-pyridin-4-yl-3H-indole;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanol;6-(1H-pyrazol-4-yl)-2-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-1H-benzimidazole is sourced from PubChem (CID 158806524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).