bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane

C136H179Cl10N29O7 — CID 157178748

About bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane

bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane (PubChem CID 157178748) has the molecular formula C136H179Cl10N29O7 and a molecular weight of 2686.65 g/mol. Its IUPAC name is bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane.

Molecular Properties

• Compound Name: bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane
• PubChem CID: 157178748
• Molecular Formula: C136H179Cl10N29O7
• Molecular Weight: 2686.65 g/mol
• Exact Mass: 2680.14
• IUPAC Name: bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane
• SMILES: C.C.C.C.C.CC1C=C(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCC1CO.CCN1CCCC(C2CCN(c3cnc4c(C)nn(C(C)c5ccc(Cl)cc5Cl)c4n3)CC2C)C1.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4CO)CC3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(C4CCCNC4)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC(C)C4)C(CO)C3)cnc12.O=C=O.O=C=O
• InChI: InChI=1S/C27H36Cl2N6.C26H34Cl2N6O.C26H28Cl2N6O.C25H32Cl2N6.C25H29Cl2N5O.2CO2.5CH4/c1-5-33-11-6-7-20(16-33)22-10-12-34(15-17(22)2)25-14-30-26-18(3)32-35(27(26)31-25)19(4)23-9-8-21(28)13-24(23)29;1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28;1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28;1-15-14-32(10-8-20(15)18-5-4-9-28-12-18)23-13-29-24-16(2)31-33(25(24)30-23)17(3)21-7-6-19(26)11-22(21)27;1-15-24-25(32(30-15)16(2)21-10-7-18(26)12-22(21)27)29-23(13-28-24)17-5-8-19(9-6-17)31-11-3-4-20(31)14-33;2*2-1-3;;;;;/h8-9,13-14,17,19-20,22H,5-7,10-12,15-16H2,1-4H3;6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3;6-7,10-11,13,15-16,19,24,35H,3-5,8-9,14H2,1-2H3;6-7,11,13,15,17-18,20,28H,4-5,8-10,12,14H2,1-3H3;5,7,10,12-13,16,19-20,33H,3-4,6,8-9,11,14H2,1-2H3;;;5*1H4
• InChIKey: AOIFJCRQEBUEDB-UHFFFAOYSA-N
• XLogP: 29.44
• TPSA: 405.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2686.65
LogP ≤ 5	29.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane?

The IUPAC name of bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane (CID 157178748) is bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane.

What is the SMILES notation for bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane?

The canonical SMILES for bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane is C.C.C.C.C.CC1C=C(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCC1CO.CCN1CCCC(C2CCN(c3cnc4c(C)nn(C(C)c5ccc(Cl)cc5Cl)c4n3)CC2C)C1.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4CO)CC3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(C4CCCNC4)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC(C)C4)C(CO)C3)cnc12.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane?

The InChIKey is AOIFJCRQEBUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Cl2N6.C26H34Cl2N6O.C26H28Cl2N6O.C25H32Cl2N6.C25H29Cl2N5O.2CO2.5CH4/c1-5-33-11-6-7-20(16-33)22-10-12-34(15-17(22)2)25-14-30-26-18(3)32-35(27(26)31-25)19(4)23-9-8-21(28)13-24(23)29;1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28;1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28;1-15-14-32(10-8-20(15)18-5-4-9-28-12-18)23-13-29-24-16(2)31-33(25(24)30-23)17(3)21-7-6-19(26)11-22(21)27;1-15-24-25(32(30-15)16(2)21-10-7-18(26)12-22(21)27)29-23(13-28-24)17-5-8-19(9-6-17)31-11-3-4-20(31)14-33;2*2-1-3;;;;;/h8-9,13-14,17,19-20,22H,5-7,10-12,15-16H2,1-4H3;6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3;6-7,10-11,13,15-16,19,24,35H,3-5,8-9,14H2,1-2H3;6-7,11,13,15,17-18,20,28H,4-5,8-10,12,14H2,1-3H3;5,7,10,12-13,16,19-20,33H,3-4,6,8-9,11,14H2,1-2H3;;;5*1H4.

What are the key properties of bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane?

bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane has a molecular weight of 2686.65 g/mol, XLogP of 29.44, 24 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol;[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol;methane is sourced from PubChem (CID 157178748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).