tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C88H107ClN18O7S3 — CID 162045574

About tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 162045574) has the molecular formula C88H107ClN18O7S3 and a molecular weight of 1660.60 g/mol. Its IUPAC name is tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
• PubChem CID: 162045574
• Molecular Formula: C88H107ClN18O7S3
• Molecular Weight: 1660.60 g/mol
• Exact Mass: 1658.74
• IUPAC Name: tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
• SMILES: CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.C[C@@H](N)c1ccc(-c2ccccc2CN(C)C(=O)OC(C)(C)C)s1.Cc1nnc(Cl)c2cc(N3CCOCC3)ncc12.Cc1nnc(N[C@H](C)c2ccc(-c3ccccc3CN(C)C(=O)OC(C)(C)C)s2)c2cc(N3CCOCC3)ncc12
• InChI: InChI=1S/C31H38N6O3S.C26H30N6OS.C19H26N2O2S.C12H13ClN4O/c1-20-25-18-32-28(37-13-15-39-16-14-37)17-24(25)29(35-34-20)33-21(2)26-11-12-27(41-26)23-10-8-7-9-22(23)19-36(6)30(38)40-31(3,4)5;1-17-22-16-28-25(32-10-12-33-13-11-32)14-21(22)26(31-30-17)29-18(2)23-8-9-24(34-23)20-7-5-4-6-19(20)15-27-3;1-13(20)16-10-11-17(24-16)15-9-7-6-8-14(15)12-21(5)18(22)23-19(2,3)4;1-8-10-7-14-11(17-2-4-18-5-3-17)6-9(10)12(13)16-15-8/h7-12,17-18,21H,13-16,19H2,1-6H3,(H,33,35);4-9,14,16,18,27H,10-13,15H2,1-3H3,(H,29,31);6-11,13H,12,20H2,1-5H3;6-7H,2-5H2,1H3/t21-;18-;13-;/m111./s1
• InChIKey: YXVMWFANPQINMZ-NHUPTZRQSA-N
• XLogP: 17.85
• TPSA: 274.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.60
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?

The IUPAC name of tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 162045574) is tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

What is the SMILES notation for tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?

The canonical SMILES for tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.C[C@@H](N)c1ccc(-c2ccccc2CN(C)C(=O)OC(C)(C)C)s1.Cc1nnc(Cl)c2cc(N3CCOCC3)ncc12.Cc1nnc(N[C@H](C)c2ccc(-c3ccccc3CN(C)C(=O)OC(C)(C)C)s2)c2cc(N3CCOCC3)ncc12.

What is the InChIKey of tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?

The InChIKey is YXVMWFANPQINMZ-NHUPTZRQSA-N. The full InChI is InChI=1S/C31H38N6O3S.C26H30N6OS.C19H26N2O2S.C12H13ClN4O/c1-20-25-18-32-28(37-13-15-39-16-14-37)17-24(25)29(35-34-20)33-21(2)26-11-12-27(41-26)23-10-8-7-9-22(23)19-36(6)30(38)40-31(3,4)5;1-17-22-16-28-25(32-10-12-33-13-11-32)14-21(22)26(31-30-17)29-18(2)23-8-9-24(34-23)20-7-5-4-6-19(20)15-27-3;1-13(20)16-10-11-17(24-16)15-9-7-6-8-14(15)12-21(5)18(22)23-19(2,3)4;1-8-10-7-14-11(17-2-4-18-5-3-17)6-9(10)12(13)16-15-8/h7-12,17-18,21H,13-16,19H2,1-6H3,(H,33,35);4-9,14,16,18,27H,10-13,15H2,1-3H3,(H,29,31);6-11,13H,12,20H2,1-5H3;6-7H,2-5H2,1H3/t21-;18-;13-;/m111./s1.

What are the key properties of tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?

tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 1660.60 g/mol, XLogP of 17.85, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 162045574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).