6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine

C91H104N26O3S4 — CID 160711677

About 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine

6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine (PubChem CID 160711677) has the molecular formula C91H104N26O3S4 and a molecular weight of 1738.28 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine
• PubChem CID: 160711677
• Molecular Formula: C91H104N26O3S4
• Molecular Weight: 1738.28 g/mol
• Exact Mass: 1736.77
• IUPAC Name: 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine
• SMILES: CC1(N)CCN(c2cnc3c(n2)CN=C3Sc2cccn3ccnc23)CC1.COc1ccc(Cn2[nH]c(=S)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Sc3cccn4ccnc34)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Sc3cccnc3N)c3ncc(N4CCC(C)(C)CC4)nc32)cc1
• InChI: InChI=1S/C27H29N7OS.C25H29N7OS.C20H25N5OS.C19H21N7S/c1-27(2)10-14-32(15-11-27)22-17-29-23-25(30-22)34(18-19-6-8-20(35-3)9-7-19)31-26(23)36-21-5-4-13-33-16-12-28-24(21)33;1-25(2)10-13-31(14-11-25)20-15-28-21-23(29-20)32(16-17-6-8-18(33-3)9-7-17)30-24(21)34-19-5-4-12-27-22(19)26;1-20(2)8-10-24(11-9-20)16-12-21-17-18(22-16)25(23-19(17)27)13-14-4-6-15(26-3)7-5-14;1-19(20)4-8-25(9-5-19)15-12-22-16-13(24-15)11-23-18(16)27-14-3-2-7-26-10-6-21-17(14)26/h4-9,12-13,16-17H,10-11,14-15,18H2,1-3H3;4-9,12,15H,10-11,13-14,16H2,1-3H3,(H2,26,27);4-7,12H,8-11,13H2,1-3H3,(H,23,27);2-3,6-7,10,12H,4-5,8-9,11,20H2,1H3
• InChIKey: RRYCHXGOSFHBFH-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 312.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.28
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine?

The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine (CID 160711677) is 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine.

What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine?

The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(n2)CN=C3Sc2cccn3ccnc23)CC1.COc1ccc(Cn2[nH]c(=S)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Sc3cccn4ccnc34)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Sc3cccnc3N)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.

What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine?

The InChIKey is RRYCHXGOSFHBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7OS.C25H29N7OS.C20H25N5OS.C19H21N7S/c1-27(2)10-14-32(15-11-27)22-17-29-23-25(30-22)34(18-19-6-8-20(35-3)9-7-19)31-26(23)36-21-5-4-13-33-16-12-28-24(21)33;1-25(2)10-13-31(14-11-25)20-15-28-21-23(29-20)32(16-17-6-8-18(33-3)9-7-17)30-24(21)34-19-5-4-12-27-22(19)26;1-20(2)8-10-24(11-9-20)16-12-21-17-18(22-16)25(23-19(17)27)13-14-4-6-15(26-3)7-5-14;1-19(20)4-8-25(9-5-19)15-12-22-16-13(24-15)11-23-18(16)27-14-3-2-7-26-10-6-21-17(14)26/h4-9,12-13,16-17H,10-11,14-15,18H2,1-3H3;4-9,12,15H,10-11,13-14,16H2,1-3H3,(H2,26,27);4-7,12H,8-11,13H2,1-3H3,(H,23,27);2-3,6-7,10,12H,4-5,8-9,11,20H2,1H3.

What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine?

6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine has a molecular weight of 1738.28 g/mol, XLogP of 16.61, 18 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-dimethylpiperidin-1-yl)-3-imidazo[1,2-a]pyridin-8-ylsulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazine-3-thione;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]sulfanylpyridin-2-amine;1-(7-imidazo[1,2-a]pyridin-8-ylsulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-amine is sourced from PubChem (CID 160711677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).