3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride

C73H93Cl5N22O6 — CID 157260262

About 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride

3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride (PubChem CID 157260262) has the molecular formula C73H93Cl5N22O6 and a molecular weight of 1551.96 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride
• PubChem CID: 157260262
• Molecular Formula: C73H93Cl5N22O6
• Molecular Weight: 1551.96 g/mol
• Exact Mass: 1548.61
• IUPAC Name: 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride
• SMILES: CC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)CC1.COc1ccc(Cn2nc(N)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.COc1ccc(Cn2nc(Nc3ccnc(Cl)c3Cl)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.Cl
• InChI: InChI=1S/C30H36Cl2N8O3.C25H35N7O3.C18H21Cl2N7.ClH/c1-29(2,3)43-28(41)35-18-30(4)11-14-39(15-12-30)22-16-34-24-26(36-21-10-13-33-25(32)23(21)31)38-40(27(24)37-22)17-19-6-8-20(42-5)9-7-19;1-24(2,3)35-23(33)28-16-25(4)10-12-31(13-11-25)19-14-27-20-21(26)30-32(22(20)29-19)15-17-6-8-18(34-5)9-7-17;1-18(10-21)3-6-27(7-4-18)13-9-23-15-12(25-13)8-24-17(15)26-11-2-5-22-16(20)14(11)19;/h6-10,13,16H,11-12,14-15,17-18H2,1-5H3,(H,35,41)(H,33,36,38);6-9,14H,10-13,15-16H2,1-5H3,(H2,26,30)(H,28,33);2,5,9H,3-4,6-8,10,21H2,1H3,(H,22,24,26);1H
• InChIKey: CPCQXURRRQCENL-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 332.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1551.96
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride?

The IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride (CID 157260262) is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride.

What is the SMILES notation for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride?

The canonical SMILES for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride is CC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)CC1.COc1ccc(Cn2nc(N)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.COc1ccc(Cn2nc(Nc3ccnc(Cl)c3Cl)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.Cl.

What is the InChIKey of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride?

The InChIKey is CPCQXURRRQCENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Cl2N8O3.C25H35N7O3.C18H21Cl2N7.ClH/c1-29(2,3)43-28(41)35-18-30(4)11-14-39(15-12-30)22-16-34-24-26(36-21-10-13-33-25(32)23(21)31)38-40(27(24)37-22)17-19-6-8-20(42-5)9-7-19;1-24(2,3)35-23(33)28-16-25(4)10-12-31(13-11-25)19-14-27-20-21(26)30-32(22(20)29-19)15-17-6-8-18(34-5)9-7-17;1-18(10-21)3-6-27(7-4-18)13-9-23-15-12(25-13)8-24-17(15)26-11-2-5-22-16(20)14(11)19;/h6-10,13,16H,11-12,14-15,17-18H2,1-5H3,(H,35,41)(H,33,36,38);6-9,14H,10-13,15-16H2,1-5H3,(H2,26,30)(H,28,33);2,5,9H,3-4,6-8,10,21H2,1H3,(H,22,24,26);1H.

What are the key properties of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride?

3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride has a molecular weight of 1551.96 g/mol, XLogP of 13.59, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;tert-butyl N-[[1-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[3-[(2,3-dichloro-4-pyridinyl)amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;hydrochloride is sourced from PubChem (CID 157260262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).