N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate

C80H101N15O14S5Si — CID 158291879

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate (PubChem CID 158291879) has the molecular formula C80H101N15O14S5Si and a molecular weight of 1685.20 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate
• PubChem CID: 158291879
• Molecular Formula: C80H101N15O14S5Si
• Molecular Weight: 1685.20 g/mol
• Exact Mass: 1683.60
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CO)cc2ccsc12.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CO)cc2ccsc12.CC(C)(C)[Si](C)(C)OCc1cc2ccsc2c(N)n1.CCOC(=O)c1cc2ccsc2c(N)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccsc3c(N)n2)c1
• InChI: InChI=1S/C20H21N7OS.2C18H24N2O5S.C14H22N2OSSi.C10H10N2O2S/c1-11-5-17(21)25-12(2)16(11)8-23-20(28)14-7-24-27(9-14)10-15-6-13-3-4-29-18(13)19(22)26-15;2*1-17(2,3)24-15(22)20(16(23)25-18(4,5)6)14-13-11(7-8-26-13)9-12(10-21)19-14;1-14(2,3)19(4,5)17-9-11-8-10-6-7-18-12(10)13(15)16-11;1-2-14-10(13)7-5-6-3-4-15-8(6)9(11)12-7/h3-7,9H,8,10H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28);2*7-9,21H,10H2,1-6H3;6-8H,9H2,1-5H3,(H2,15,16);3-5H,2H2,1H3,(H2,11,12)
• InChIKey: GLLLNSKMYUMNPZ-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 416.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1685.20
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate (CID 158291879) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CO)cc2ccsc12.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CO)cc2ccsc12.CC(C)(C)[Si](C)(C)OCc1cc2ccsc2c(N)n1.CCOC(=O)c1cc2ccsc2c(N)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccsc3c(N)n2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate?

The InChIKey is GLLLNSKMYUMNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS.2C18H24N2O5S.C14H22N2OSSi.C10H10N2O2S/c1-11-5-17(21)25-12(2)16(11)8-23-20(28)14-7-24-27(9-14)10-15-6-13-3-4-29-18(13)19(22)26-15;2*1-17(2,3)24-15(22)20(16(23)25-18(4,5)6)14-13-11(7-8-26-13)9-12(10-21)19-14;1-14(2,3)19(4,5)17-9-11-8-10-6-7-18-12(10)13(15)16-11;1-2-14-10(13)7-5-6-3-4-15-8(6)9(11)12-7/h3-7,9H,8,10H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28);2*7-9,21H,10H2,1-6H3;6-8H,9H2,1-5H3,(H2,15,16);3-5H,2H2,1H3,(H2,11,12).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate has a molecular weight of 1685.20 g/mol, XLogP of 18.03, 14 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide;5-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[2,3-c]pyridin-7-amine;bis(tert-butyl N-[5-(hydroxymethyl)thieno[2,3-c]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);ethyl 7-aminothieno[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 158291879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).