Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine

C94H116Cl4N20O11 — CID 162170409

About Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine

Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine (PubChem CID 162170409) has the molecular formula C94H116Cl4N20O11 and a molecular weight of 1843.90 g/mol. Its IUPAC name is benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine.

Molecular Properties

• Compound Name: Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine
• PubChem CID: 162170409
• Molecular Formula: C94H116Cl4N20O11
• Molecular Weight: 1843.90 g/mol
• Exact Mass: 1840.79
• IUPAC Name: benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine
• SMILES: COC1(CN)CCCCC1.COC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COC1(CNC(=O)OCc2ccccc2)CCCCC1.COC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COC1(CNC(=O)OCc2ccccc2)CCNCC1.Clc1cnc2c(-c3ccccc3Cl)[nH]nc2n1
• InChI: InChI=1S/C26H27ClN6O3.C18H21ClN6O.C16H23NO3.C15H22N2O3.C11H6Cl2N4.C8H17NO/c1-35-26(17-29-25(34)36-16-18-7-3-2-4-8-18)11-13-33(14-12-26)21-15-28-23-22(31-32-24(23)30-21)19-9-5-6-10-20(19)27;1-26-18(11-20)6-8-25(9-7-18)14-10-21-16-15(23-24-17(16)22-14)12-4-2-3-5-13(12)19;1-19-16(10-6-3-7-11-16)13-17-15(18)20-12-14-8-4-2-5-9-14;1-19-15(7-9-16-10-8-15)12-17-14(18)20-11-13-5-3-2-4-6-13;12-7-4-2-1-3-6(7)9-10-11(17-16-9)15-8(13)5-14-10;1-10-8(7-9)5-3-2-4-6-8/h2-10,15H,11-14,16-17H2,1H3,(H,29,34)(H,30,31,32);2-5,10H,6-9,11,20H2,1H3,(H,22,23,24);2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,17,18);2-6,16H,7-12H2,1H3,(H,17,18);1-5H,(H,15,16,17);2-7,9H2,1H3
• InChIKey: ZNSCRBZRUNQXSU-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 395.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1843.90
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine?

The IUPAC name of Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine (CID 162170409) is benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine.

What is the SMILES notation for Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine?

The canonical SMILES for Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine is COC1(CN)CCCCC1.COC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COC1(CNC(=O)OCc2ccccc2)CCCCC1.COC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COC1(CNC(=O)OCc2ccccc2)CCNCC1.Clc1cnc2c(-c3ccccc3Cl)[nH]nc2n1.

What is the InChIKey of Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine?

The InChIKey is ZNSCRBZRUNQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O3.C18H21ClN6O.C16H23NO3.C15H22N2O3.C11H6Cl2N4.C8H17NO/c1-35-26(17-29-25(34)36-16-18-7-3-2-4-8-18)11-13-33(14-12-26)21-15-28-23-22(31-32-24(23)30-21)19-9-5-6-10-20(19)27;1-26-18(11-20)6-8-25(9-7-18)14-10-21-16-15(23-24-17(16)22-14)12-4-2-3-5-13(12)19;1-19-16(10-6-3-7-11-16)13-17-15(18)20-12-14-8-4-2-5-9-14;1-19-15(7-9-16-10-8-15)12-17-14(18)20-11-13-5-3-2-4-6-13;12-7-4-2-1-3-6(7)9-10-11(17-16-9)15-8(13)5-14-10;1-10-8(7-9)5-3-2-4-6-8/h2-10,15H,11-14,16-17H2,1H3,(H,29,34)(H,30,31,32);2-5,10H,6-9,11,20H2,1H3,(H,22,23,24);2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,17,18);2-6,16H,7-12H2,1H3,(H,17,18);1-5H,(H,15,16,17);2-7,9H2,1H3.

What are the key properties of Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine?

Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine has a molecular weight of 1843.90 g/mol, XLogP of 16.77, 24 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methyl]carbamate;benzyl N-[(1-methoxycyclohexyl)methyl]carbamate;benzyl N-[(4-methoxypiperidin-4-yl)methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methanamine;(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 162170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).