5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine

C99H110BrN19O3 — CID 159789865

About 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine

5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine (PubChem CID 159789865) has the molecular formula C99H110BrN19O3 and a molecular weight of 1694.00 g/mol. Its IUPAC name is 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine.

Molecular Properties

• Compound Name: 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine
• PubChem CID: 159789865
• Molecular Formula: C99H110BrN19O3
• Molecular Weight: 1694.00 g/mol
• Exact Mass: 1691.82
• IUPAC Name: 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine
• SMILES: Brc1ccc2c(n1)CCCC2.CC1(CN)CCN(c2cnc3c(n2)CN=C3N2CCCc3nc(N)ccc32)CC1.COc1ccc(Cn2nc(N3CCCc4nc(C=C(c5ccccc5)c5ccccc5)ccc43)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.c1ccc(C(=Nc2ccc3c(n2)CCCC3)c2ccccc2)cc1
• InChI: InChI=1S/C47H52N8O3.C22H20N2.C21H28N8.C9H10BrN/c1-46(2,3)58-45(56)49-32-47(4)24-27-53(28-25-47)41-30-48-42-43(51-41)55(31-33-18-21-37(57-5)22-19-33)52-44(42)54-26-12-17-39-40(54)23-20-36(50-39)29-38(34-13-8-6-9-14-34)35-15-10-7-11-16-35;1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)24-21-16-15-17-9-7-8-14-20(17)23-21;1-21(13-22)6-9-28(10-7-21)18-12-24-19-15(27-18)11-25-20(19)29-8-2-3-14-16(29)4-5-17(23)26-14;10-9-6-5-7-3-1-2-4-8(7)11-9/h6-11,13-16,18-23,29-30H,12,17,24-28,31-32H2,1-5H3,(H,49,56);1-6,10-13,15-16H,7-9,14H2;4-5,12H,2-3,6-11,13,22H2,1H3,(H2,23,26);5-6H,1-4H2
• InChIKey: NIKPYSWGMPSNAI-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 258.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.00
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?

The IUPAC name of 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine (CID 159789865) is 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine.

What is the SMILES notation for 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?

The canonical SMILES for 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine is Brc1ccc2c(n1)CCCC2.CC1(CN)CCN(c2cnc3c(n2)CN=C3N2CCCc3nc(N)ccc32)CC1.COc1ccc(Cn2nc(N3CCCc4nc(C=C(c5ccccc5)c5ccccc5)ccc43)c3ncc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)nc32)cc1.c1ccc(C(=Nc2ccc3c(n2)CCCC3)c2ccccc2)cc1.

What is the InChIKey of 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?

The InChIKey is NIKPYSWGMPSNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N8O3.C22H20N2.C21H28N8.C9H10BrN/c1-46(2,3)58-45(56)49-32-47(4)24-27-53(28-25-47)41-30-48-42-43(51-41)55(31-33-18-21-37(57-5)22-19-33)52-44(42)54-26-12-17-39-40(54)23-20-36(50-39)29-38(34-13-8-6-9-14-34)35-15-10-7-11-16-35;1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)24-21-16-15-17-9-7-8-14-20(17)23-21;1-21(13-22)6-9-28(10-7-21)18-12-24-19-15(27-18)11-25-20(19)29-8-2-3-14-16(29)4-5-17(23)26-14;10-9-6-5-7-3-1-2-4-8(7)11-9/h6-11,13-16,18-23,29-30H,12,17,24-28,31-32H2,1-5H3,(H,49,56);1-6,10-13,15-16H,7-9,14H2;4-5,12H,2-3,6-11,13,22H2,1H3,(H2,23,26);5-6H,1-4H2.

What are the key properties of 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?

5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine has a molecular weight of 1694.00 g/mol, XLogP of 18.67, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-amine;2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[1-[3-[6-(2,2-diphenylethenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate;1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine is sourced from PubChem (CID 159789865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).