4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C103H105Cl3F2N26O3 — CID 167615148

About 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 167615148) has the molecular formula C103H105Cl3F2N26O3 and a molecular weight of 1899.51 g/mol. Its IUPAC name is 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 167615148
• Molecular Formula: C103H105Cl3F2N26O3
• Molecular Weight: 1899.51 g/mol
• Exact Mass: 1896.79
• IUPAC Name: 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: C=C1NC=CC(OC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)=C1Cl.Cc1nccc(NC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)c1Cl.Cn1ccc(OC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)c(Cl)c1=O.N[C@@H]1c2ccccc2CC12CCN(c1nc3c(nc1C(F)F)C(N1CCCc4ncccc41)=NC3)CC2
• InChI: InChI=1S/C28H29F2N7.C25H26ClN7.C25H25ClN6O2.C25H25ClN6O/c29-25(30)23-27(36-13-9-28(10-14-36)15-17-5-1-2-6-18(17)24(28)31)34-20-16-33-26(22(20)35-23)37-12-4-7-19-21(37)8-3-11-32-19;1-15-21(26)18(6-9-28-15)32-24-22-19(13-30-24)31-20(14-29-22)33-10-7-25(8-11-33)12-16-4-2-3-5-17(16)23(25)27;1-31-9-6-18(20(26)24(31)33)34-23-21-17(13-29-23)30-19(14-28-21)32-10-7-25(8-11-32)12-15-4-2-3-5-16(15)22(25)27;1-15-21(26)19(6-9-28-15)33-24-22-18(13-30-24)31-20(14-29-22)32-10-7-25(8-11-32)12-16-4-2-3-5-17(16)23(25)27/h1-3,5-6,8,11,24-25H,4,7,9-10,12-16,31H2;2-6,9,14,23H,7-8,10-13,27H2,1H3,(H,28,30,32);2-6,9,14,22H,7-8,10-13,27H2,1H3;2-6,9,14,23,28H,1,7-8,10-13,27H2/t24-;23-;22-;23-/m1111/s1
• InChIKey: LQBVOVRPOQKCFV-CXNOEOGUSA-N
• XLogP: 15.10
• TPSA: 363.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.51
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 167615148) is 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C1NC=CC(OC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)=C1Cl.Cc1nccc(NC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)c1Cl.Cn1ccc(OC2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc32)c(Cl)c1=O.N[C@@H]1c2ccccc2CC12CCN(c1nc3c(nc1C(F)F)C(N1CCCc4ncccc41)=NC3)CC2.

What is the InChIKey of 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is LQBVOVRPOQKCFV-CXNOEOGUSA-N. The full InChI is InChI=1S/C28H29F2N7.C25H26ClN7.C25H25ClN6O2.C25H25ClN6O/c29-25(30)23-27(36-13-9-28(10-14-36)15-17-5-1-2-6-18(17)24(28)31)34-20-16-33-26(22(20)35-23)37-12-4-7-19-21(37)8-3-11-32-19;1-15-21(26)18(6-9-28-15)32-24-22-19(13-30-24)31-20(14-29-22)33-10-7-25(8-11-33)12-16-4-2-3-5-17(16)23(25)27;1-31-9-6-18(20(26)24(31)33)34-23-21-17(13-29-23)30-19(14-28-21)32-10-7-25(8-11-32)12-15-4-2-3-5-16(15)22(25)27;1-15-21(26)19(6-9-28-15)33-24-22-18(13-30-24)31-20(14-29-22)32-10-7-25(8-11-32)12-16-4-2-3-5-17(16)23(25)27/h1-3,5-6,8,11,24-25H,4,7,9-10,12-16,31H2;2-6,9,14,23H,7-8,10-13,27H2,1H3,(H,28,30,32);2-6,9,14,22H,7-8,10-13,27H2,1H3;2-6,9,14,23,28H,1,7-8,10-13,27H2/t24-;23-;22-;23-/m1111/s1.

What are the key properties of 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 1899.51 g/mol, XLogP of 15.10, 8 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 167615148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).