1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate

C127H155Cl10F3N30O2 — CID 159641386

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
SMILESCC1CN(c2cnc3c(C(F)(F)F)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCC1CN(c2cnc3c(n2)C(C(C)c2ccc(Cl)cc2Cl)N=C3C#N)CCC1N1CCCCC1.CCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12
InChIInChI=1S/C27H32Cl2N6.C26H32Cl2N6O2.C25H29Cl2F3N6.C25H32Cl2N6.C24H30Cl2N6/c1-3-18-16-35(12-9-23(18)34-10-5-4-6-11-34)24-15-31-26-22(14-30)32-25(27(26)33-24)17(2)20-8-7-19(28)13-21(20)29;1-3-36-26(35)24-23-25(34(31-24)16-18-7-8-19(27)13-20(18)28)30-22(14-29-23)33-12-9-21(17(2)15-33)32-10-5-4-6-11-32;1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27;1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27;1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h7-8,13,15,17-18,23,25H,3-6,9-12,16H2,1-2H3;7-8,13-14,17,21H,3-6,9-12,15-16H2,1-2H3;6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3;7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3;6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
InChIKeyMQJZDZWHYRQEKA-UHFFFAOYSA-N
MW2545.37 g/mol
LogP28.84
Rot. Bonds24

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate (PubChem CID 159641386) has the molecular formula C127H155Cl10F3N30O2 and a molecular weight of 2545.37 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
PubChem CID159641386
Molecular FormulaC127H155Cl10F3N30O2
Molecular Weight2545.37 g/mol
Exact Mass2538.98
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
SMILESCC1CN(c2cnc3c(C(F)(F)F)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCC1CN(c2cnc3c(n2)C(C(C)c2ccc(Cl)cc2Cl)N=C3C#N)CCC1N1CCCCC1.CCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12
InChIInChI=1S/C27H32Cl2N6.C26H32Cl2N6O2.C25H29Cl2F3N6.C25H32Cl2N6.C24H30Cl2N6/c1-3-18-16-35(12-9-23(18)34-10-5-4-6-11-34)24-15-31-26-22(14-30)32-25(27(26)33-24)17(2)20-8-7-19(28)13-21(20)29;1-3-36-26(35)24-23-25(34(31-24)16-18-7-8-19(27)13-20(18)28)30-22(14-29-23)33-12-9-21(17(2)15-33)32-10-5-4-6-11-32;1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27;1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27;1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h7-8,13,15,17-18,23,25H,3-6,9-12,16H2,1-2H3;7-8,13-14,17,21H,3-6,9-12,15-16H2,1-2H3;6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3;7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3;6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
InChIKeyMQJZDZWHYRQEKA-UHFFFAOYSA-N
XLogP28.84
TPSA295.03 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.37
LogP ≤ 528.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate with MolForge

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Related Compounds

US10246462, Example 11
CID 134325123
US10246462, Example 2
CID 134325134
US10246462, Example 1
CID 134324984
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 157331022
1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol;2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 157338062
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine
CID 157420143
6-[4-(Azetidin-1-yl)-3-methylpiperidin-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone
CID 157712578
6-[4-(Azetidin-1-yl)-3-methylpiperidin-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone;methane
CID 157954621
1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol;2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 158542214
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone
CID 159645888
1-[1-[1-(2,4-Dichlorophenyl)ethyl]-6-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol;bis(2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol)
CID 159908591
1-[1-[1-(2,4-Dichlorophenyl)ethyl]-6-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol;2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol;2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 161572972

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate (CID 159641386) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate is CC1CN(c2cnc3c(C(F)(F)F)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCC1CN(c2cnc3c(n2)C(C(C)c2ccc(Cl)cc2Cl)N=C3C#N)CCC1N1CCCCC1.CCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?
The InChIKey is MQJZDZWHYRQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N6.C26H32Cl2N6O2.C25H29Cl2F3N6.C25H32Cl2N6.C24H30Cl2N6/c1-3-18-16-35(12-9-23(18)34-10-5-4-6-11-34)24-15-31-26-22(14-30)32-25(27(26)33-24)17(2)20-8-7-19(28)13-21(20)29;1-3-36-26(35)24-23-25(34(31-24)16-18-7-8-19(27)13-20(18)28)30-22(14-29-23)33-12-9-21(17(2)15-33)32-10-5-4-6-11-32;1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27;1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27;1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h7-8,13,15,17-18,23,25H,3-6,9-12,16H2,1-2H3;7-8,13-14,17,21H,3-6,9-12,15-16H2,1-2H3;6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3;7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3;6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?
1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate has a molecular weight of 2545.37 g/mol, XLogP of 28.84, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;ethyl 1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate is sourced from PubChem (CID 159641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).