carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride

C130H171Cl15N34O4 — CID 158004471

About carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride

carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride (PubChem CID 158004471) has the molecular formula C130H171Cl15N34O4 and a molecular weight of 2805.83 g/mol. Its IUPAC name is carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride.

Molecular Properties

• Compound Name: carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride
• PubChem CID: 158004471
• Molecular Formula: C130H171Cl15N34O4
• Molecular Weight: 2805.83 g/mol
• Exact Mass: 2796.96
• IUPAC Name: carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride
• SMILES: C.C.C.C.C.C[C@@H]1CN(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@@H](C)C3)nc21.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@@H](CO)C3)nc21.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@H](CO)C3)nc21.Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCC[C@H]4C)CC3)cnc12.Cl.Cl.Cl.Cl.Cl.O=C=O
• InChI: InChI=1S/2C25H29Cl2N7O.2C25H29Cl2N7.C24H30Cl2N6.CO2.5CH4.5ClH/c2*1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32;2*1-16-15-33(11-8-22(16)32-9-4-3-5-10-32)23-14-29-24-21(13-28)31-34(25(24)30-23)17(2)19-7-6-18(26)12-20(19)27;1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26;2-1-3;;;;;;;;;;/h2*5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3;2*6-7,12,14,16-17,22H,3-5,8-11,15H2,1-2H3;6-7,13-15,17,19H,4-5,8-12H2,1-3H3;;5*1H4;5*1H/t16-,17+,22?;16-,17-,22?;16-,17+,22?;16-,17-,22?;15-,17-;;;;;;;;;;;/m11011.........../s1
• InChIKey: PVNOKOYXSQIPRU-BCISKEFCSA-N
• XLogP: 29.41
• TPSA: 420.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2805.83
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride?

The IUPAC name of carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride (CID 158004471) is carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride.

What is the SMILES notation for carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride?

The canonical SMILES for carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride is C.C.C.C.C.C[C@@H]1CN(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@@H](C)C3)nc21.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@@H](CO)C3)nc21.C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)[C@H](CO)C3)nc21.Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCC[C@H]4C)CC3)cnc12.Cl.Cl.Cl.Cl.Cl.O=C=O.

What is the InChIKey of carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride?

The InChIKey is PVNOKOYXSQIPRU-BCISKEFCSA-N. The full InChI is InChI=1S/2C25H29Cl2N7O.2C25H29Cl2N7.C24H30Cl2N6.CO2.5CH4.5ClH/c2*1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32;2*1-16-15-33(11-8-22(16)32-9-4-3-5-10-32)23-14-29-24-21(13-28)31-34(25(24)30-23)17(2)19-7-6-18(26)12-20(19)27;1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26;2-1-3;;;;;;;;;;/h2*5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3;2*6-7,12,14,16-17,22H,3-5,8-11,15H2,1-2H3;6-7,13-15,17,19H,4-5,8-12H2,1-3H3;;5*1H4;5*1H/t16-,17+,22?;16-,17-,22?;16-,17+,22?;16-,17-,22?;15-,17-;;;;;;;;;;;/m11011.........../s1.

What are the key properties of carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride?

carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride has a molecular weight of 2805.83 g/mol, XLogP of 29.41, 22 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3R)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;methane;pentahydrochloride is sourced from PubChem (CID 158004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).