7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C71H100ClN21O5S4 — CID 163761315

About 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163761315) has the molecular formula C71H100ClN21O5S4 and a molecular weight of 1491.44 g/mol. Its IUPAC name is 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163761315
• Molecular Formula: C71H100ClN21O5S4
• Molecular Weight: 1491.44 g/mol
• Exact Mass: 1489.68
• IUPAC Name: 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CN1CCN(CCCN)CC1.CN1CCN(CCCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CN1CCN(CCCNc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.Cc1ccc(S(=O)(=O)O)cc1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C23H33N7OS.C18H25N7S.C15H15ClN4OS.C8H19N3.C7H8O3S/c1-28-10-12-29(13-11-28)9-4-7-25-17-16-21(24)27-18-15-20(32-23(17)18)19-6-8-26-30(19)22-5-2-3-14-31-22;1-24-7-9-25(10-8-24)6-2-4-20-14-12-17(19)22-15-11-16(26-18(14)15)13-3-5-21-23-13;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-10-5-7-11(8-6-10)4-2-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h6,8,15-16,22H,2-5,7,9-14H2,1H3,(H3,24,25,27);3,5,11-12H,2,4,6-10H2,1H3,(H,21,23)(H3,19,20,22);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-9H2,1H3;2-5H,1H3,(H,8,9,10)
• InChIKey: ZAFNPPZLNXSUNW-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 323.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1491.44
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163761315) is 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CN1CCN(CCCN)CC1.CN1CCN(CCCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CN1CCN(CCCNc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.Cc1ccc(S(=O)(=O)O)cc1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is ZAFNPPZLNXSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7OS.C18H25N7S.C15H15ClN4OS.C8H19N3.C7H8O3S/c1-28-10-12-29(13-11-28)9-4-7-25-17-16-21(24)27-18-15-20(32-23(17)18)19-6-8-26-30(19)22-5-2-3-14-31-22;1-24-7-9-25(10-8-24)6-2-4-20-14-12-17(19)22-15-11-16(26-18(14)15)13-3-5-21-23-13;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-10-5-7-11(8-6-10)4-2-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h6,8,15-16,22H,2-5,7,9-14H2,1H3,(H3,24,25,27);3,5,11-12H,2,4,6-10H2,1H3,(H,21,23)(H3,19,20,22);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-9H2,1H3;2-5H,1H3,(H,8,9,10).

What are the key properties of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1491.44 g/mol, XLogP of 10.73, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163761315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).