2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C79H59ClN24O3S4 — CID 158496785

About 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158496785) has the molecular formula C79H59ClN24O3S4 and a molecular weight of 1556.23 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158496785
• Molecular Formula: C79H59ClN24O3S4
• Molecular Weight: 1556.23 g/mol
• Exact Mass: 1554.38
• IUPAC Name: 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Clc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.O=C(O)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1
• InChI: InChI=1S/C20H14N6O2S.C20H16N6OS.C20H16N6S.C19H13ClN6S/c27-19(28)11-2-1-3-13(8-11)23-20-24-16-6-7-29-17(16)18(25-20)22-14-4-5-15-12(9-14)10-21-26-15;1-27-15-4-2-3-13(10-15)23-20-24-17-7-8-28-18(17)19(25-20)22-14-5-6-16-12(9-14)11-21-26-16;1-12-3-2-4-14(9-12)23-20-24-17-7-8-27-18(17)19(25-20)22-15-5-6-16-13(10-15)11-21-26-16;20-12-2-1-3-13(9-12)23-19-24-16-6-7-27-17(16)18(25-19)22-14-4-5-15-11(8-14)10-21-26-15/h1-10H,(H,21,26)(H,27,28)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25);1-10H,(H,21,26)(H2,22,23,24,25)
• InChIKey: HJJUIZFZYMEZOP-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 360.61 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1556.23
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 158496785) is 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Clc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.O=C(O)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.

What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is HJJUIZFZYMEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2S.C20H16N6OS.C20H16N6S.C19H13ClN6S/c27-19(28)11-2-1-3-13(8-11)23-20-24-16-6-7-29-17(16)18(25-20)22-14-4-5-15-12(9-14)10-21-26-15;1-27-15-4-2-3-13(10-15)23-20-24-17-7-8-28-18(17)19(25-20)22-14-5-6-16-12(9-14)11-21-26-16;1-12-3-2-4-14(9-12)23-20-24-17-7-8-27-18(17)19(25-20)22-15-5-6-16-13(10-15)11-21-26-16;20-12-2-1-3-13(9-12)23-19-24-16-6-7-27-17(16)18(25-19)22-14-4-5-15-11(8-14)10-21-26-15/h1-10H,(H,21,26)(H,27,28)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25);1-10H,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1556.23 g/mol, XLogP of 20.89, 18 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158496785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).