4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C73H53N21OS4 — CID 161005860

About 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161005860) has the molecular formula C73H53N21OS4 and a molecular weight of 1368.64 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161005860
• Molecular Formula: C73H53N21OS4
• Molecular Weight: 1368.64 g/mol
• Exact Mass: 1367.36
• IUPAC Name: 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccc1Oc1cccnc1.c1ccc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cn2)cc1.c1cncc(-c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1
• InChI: InChI=1S/C25H19N7OS.C24H17N7S2.C24H17N7S/c1-15-11-17(5-7-22(15)33-19-3-2-9-26-14-19)29-25-30-21-8-10-34-23(21)24(31-25)28-18-4-6-20-16(12-18)13-27-32-20;1-2-4-18(5-3-1)33-21-9-7-17(14-25-21)28-24-29-20-10-11-32-22(20)23(30-24)27-16-6-8-19-15(12-16)13-26-31-19;1-2-16(13-25-10-1)15-3-5-18(6-4-15)28-24-29-21-9-11-32-22(21)23(30-24)27-19-7-8-20-17(12-19)14-26-31-20/h2-14H,1H3,(H,27,32)(H2,28,29,30,31);1-14H,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30)
• InChIKey: TWMKGNRIJMWEJG-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 283.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1368.64
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 161005860) is 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccc1Oc1cccnc1.c1ccc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cn2)cc1.c1cncc(-c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1.

What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is TWMKGNRIJMWEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS.C24H17N7S2.C24H17N7S/c1-15-11-17(5-7-22(15)33-19-3-2-9-26-14-19)29-25-30-21-8-10-34-23(21)24(31-25)28-18-4-6-20-16(12-18)13-27-32-20;1-2-4-18(5-3-1)33-21-9-7-17(14-25-21)28-24-29-20-10-11-32-22(20)23(30-24)27-16-6-8-19-15(12-16)13-26-31-19;1-2-16(13-25-10-1)15-3-5-18(6-4-15)28-24-29-21-9-11-32-22(21)23(30-24)27-19-7-8-20-17(12-19)14-26-31-20/h2-14H,1H3,(H,27,32)(H2,28,29,30,31);1-14H,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30).

What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1368.64 g/mol, XLogP of 19.27, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-phenylsulfanyl-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161005860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).