2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C86H61ClN28O3S4 — CID 161223024

About 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161223024) has the molecular formula C86H61ClN28O3S4 and a molecular weight of 1698.35 g/mol. Its IUPAC name is 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161223024
• Molecular Formula: C86H61ClN28O3S4
• Molecular Weight: 1698.35 g/mol
• Exact Mass: 1696.41
• IUPAC Name: 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Clc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cn1.O=[N+]([O-])c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1.c1ccc(-c2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.c1ccc(COc2cccnc2Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C25H19N7OS.C25H18N6S.C18H12ClN7S.C18H12N8O2S/c1-2-5-16(6-3-1)15-33-21-7-4-11-26-23(21)30-25-29-20-10-12-34-22(20)24(31-25)28-18-8-9-19-17(13-18)14-27-32-19;1-2-5-16(6-3-1)17-7-4-8-19(13-17)28-25-29-22-11-12-32-23(22)24(30-25)27-20-9-10-21-18(14-20)15-26-31-21;19-15-4-2-12(9-20-15)23-18-24-14-5-6-27-16(14)17(25-18)22-11-1-3-13-10(7-11)8-21-26-13;27-26(28)12-2-4-15(19-9-12)23-18-22-14-5-6-29-16(14)17(24-18)21-11-1-3-13-10(7-11)8-20-25-13/h1-14H,15H2,(H,27,32)(H2,26,28,29,30,31);1-15H,(H,26,31)(H2,27,28,29,30);1-9H,(H,21,26)(H2,22,23,24,25);1-9H,(H,20,25)(H2,19,21,22,23,24)
• InChIKey: QEQMFAKBJVVPDR-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 405.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.35
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 161223024) is 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is Clc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cn1.O=[N+]([O-])c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1.c1ccc(-c2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.c1ccc(COc2cccnc2Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is QEQMFAKBJVVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS.C25H18N6S.C18H12ClN7S.C18H12N8O2S/c1-2-5-16(6-3-1)15-33-21-7-4-11-26-23(21)30-25-29-20-10-12-34-22(20)24(31-25)28-18-8-9-19-17(13-18)14-27-32-19;1-2-5-16(6-3-1)17-7-4-8-19(13-17)28-25-29-22-11-12-32-23(22)24(30-25)27-20-9-10-21-18(14-20)15-26-31-21;19-15-4-2-12(9-20-15)23-18-24-14-5-6-27-16(14)17(25-18)22-11-1-3-13-10(7-11)8-21-26-13;27-26(28)12-2-4-15(19-9-12)23-18-22-14-5-6-29-16(14)17(24-18)21-11-1-3-13-10(7-11)8-20-25-13/h1-14H,15H2,(H,27,32)(H2,26,28,29,30,31);1-15H,(H,26,31)(H2,27,28,29,30);1-9H,(H,21,26)(H2,22,23,24,25);1-9H,(H,20,25)(H2,19,21,22,23,24).

What are the key properties of 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1698.35 g/mol, XLogP of 22.21, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(6-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-nitro-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylmethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161223024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).