benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

C55H50Cl8N14O3 — CID 158456732

About benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 158456732) has the molecular formula C55H50Cl8N14O3 and a molecular weight of 1238.72 g/mol. Its IUPAC name is benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
• PubChem CID: 158456732
• Molecular Formula: C55H50Cl8N14O3
• Molecular Weight: 1238.72 g/mol
• Exact Mass: 1234.17
• IUPAC Name: benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
• SMILES: CC1(CN)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.O=C(c1cccc(Cl)c1Cl)c1ncc(Cl)nc1Cl
• InChI: InChI=1S/C26H26Cl2N6O2.C18H20Cl2N6.C11H4Cl4N2O/c1-26(16-30-25(35)36-15-17-6-3-2-4-7-17)10-12-34(13-11-26)20-14-29-23-22(32-33-24(23)31-20)18-8-5-9-19(27)21(18)28;1-18(10-21)5-7-26(8-6-18)13-9-22-16-15(24-25-17(16)23-13)11-3-2-4-12(19)14(11)20;12-6-3-1-2-5(8(6)14)10(18)9-11(15)17-7(13)4-16-9/h2-9,14H,10-13,15-16H2,1H3,(H,30,35)(H,31,32,33);2-4,9H,5-8,10,21H2,1H3,(H,23,24,25);1-4H
• InChIKey: HEQWKLPVWRQHKU-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 222.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.72
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?

The IUPAC name of benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (CID 158456732) is benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.

What is the SMILES notation for benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?

The canonical SMILES for benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.O=C(c1cccc(Cl)c1Cl)c1ncc(Cl)nc1Cl.

What is the InChIKey of benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?

The InChIKey is HEQWKLPVWRQHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O2.C18H20Cl2N6.C11H4Cl4N2O/c1-26(16-30-25(35)36-15-17-6-3-2-4-7-17)10-12-34(13-11-26)20-14-29-23-22(32-33-24(23)31-20)18-8-5-9-19(27)21(18)28;1-18(10-21)5-7-26(8-6-18)13-9-22-16-15(24-25-17(16)23-13)11-3-2-4-12(19)14(11)20;12-6-3-1-2-5(8(6)14)10(18)9-11(15)17-7(13)4-16-9/h2-9,14H,10-13,15-16H2,1H3,(H,30,35)(H,31,32,33);2-4,9H,5-8,10,21H2,1H3,(H,23,24,25);1-4H.

What are the key properties of benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?

benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 1238.72 g/mol, XLogP of 14.07, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;(2,3-dichlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;[1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 158456732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).