N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride

C73H102BrClN18O8S4 — CID 163557935

About N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride

N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride (PubChem CID 163557935) has the molecular formula C73H102BrClN18O8S4 and a molecular weight of 1603.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride
• PubChem CID: 163557935
• Molecular Formula: C73H102BrClN18O8S4
• Molecular Weight: 1603.36 g/mol
• Exact Mass: 1600.59
• IUPAC Name: N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride
• SMILES: CC(=O)N(C)CCCN.CC(=O)N(C)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(=O)N(C)CCCNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cc1ccc(S(=O)(=O)O)cc1.Cl
• InChI: InChI=1S/C25H36N6O2S.C19H23BrN4OS.C16H20N6OS.C7H8O3S.C6H14N2O.ClH/c1-17(32)30(5)13-8-11-26-18-16-22(29-25(2,3)4)28-19-15-21(34-24(18)19)20-10-12-27-31(20)23-9-6-7-14-33-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-10(23)22(2)7-3-5-18-12-9-15(17)20-13-8-14(24-16(12)13)11-4-6-19-21-11;1-6-2-4-7(5-3-6)11(8,9)10;1-6(9)8(2)5-3-4-7;/h10,12,15-16,23H,6-9,11,13-14H2,1-5H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4,6,8-9H,3,5,7H2,1-2H3,(H,19,21)(H3,17,18,20);2-5H,1H3,(H,8,9,10);3-5,7H2,1-2H3;1H
• InChIKey: KZMJXHATKGTOFK-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 336.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1603.36
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride?

The IUPAC name of N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride (CID 163557935) is N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride.

What is the SMILES notation for N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride?

The canonical SMILES for N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride is CC(=O)N(C)CCCN.CC(=O)N(C)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(=O)N(C)CCCNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cc1ccc(S(=O)(=O)O)cc1.Cl.

What is the InChIKey of N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride?

The InChIKey is KZMJXHATKGTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2S.C19H23BrN4OS.C16H20N6OS.C7H8O3S.C6H14N2O.ClH/c1-17(32)30(5)13-8-11-26-18-16-22(29-25(2,3)4)28-19-15-21(34-24(18)19)20-10-12-27-31(20)23-9-6-7-14-33-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-10(23)22(2)7-3-5-18-12-9-15(17)20-13-8-14(24-16(12)13)11-4-6-19-21-11;1-6-2-4-7(5-3-6)11(8,9)10;1-6(9)8(2)5-3-4-7;/h10,12,15-16,23H,6-9,11,13-14H2,1-5H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4,6,8-9H,3,5,7H2,1-2H3,(H,19,21)(H3,17,18,20);2-5H,1H3,(H,8,9,10);3-5,7H2,1-2H3;1H.

What are the key properties of N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride?

N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride has a molecular weight of 1603.36 g/mol, XLogP of 15.21, 21 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride is sourced from PubChem (CID 163557935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).