4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C71H50N22OS5 — CID 161148692

About 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161148692) has the molecular formula C71H50N22OS5 and a molecular weight of 1387.67 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161148692
• Molecular Formula: C71H50N22OS5
• Molecular Weight: 1387.67 g/mol
• Exact Mass: 1386.31
• IUPAC Name: 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc(Sc2ccncc2)c1.c1cnc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.c1cncc(Sc2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)c1
• InChI: InChI=1S/2C24H17N7S2.C23H16N8OS/c1-3-16(12-18(4-1)33-19-5-2-9-25-14-19)28-24-29-21-8-10-32-22(21)23(30-24)27-17-6-7-20-15(11-17)13-26-31-20;1-2-16(13-19(3-1)33-18-6-9-25-10-7-18)28-24-29-21-8-11-32-22(21)23(30-24)27-17-4-5-20-15(12-17)14-26-31-20;1-4-17(32-20-13-24-8-9-25-20)5-2-15(1)28-23-29-19-7-10-33-21(19)22(30-23)27-16-3-6-18-14(11-16)12-26-31-18/h2*1-14H,(H,26,31)(H2,27,28,29,30);1-13H,(H,26,31)(H2,27,28,29,30)
• InChIKey: UOJUWUZAPBMFEY-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 296.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1387.67
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 161148692) is 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

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

The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc(Sc2ccncc2)c1.c1cnc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.c1cncc(Sc2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)c1.

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

The InChIKey is UOJUWUZAPBMFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17N7S2.C23H16N8OS/c1-3-16(12-18(4-1)33-19-5-2-9-25-14-19)28-24-29-21-8-10-32-22(21)23(30-24)27-17-6-7-20-15(11-17)13-26-31-20;1-2-16(13-19(3-1)33-18-6-9-25-10-7-18)28-24-29-21-8-11-32-22(21)23(30-24)27-17-4-5-20-15(12-17)14-26-31-20;1-4-17(32-20-13-24-8-9-25-20)5-2-15(1)28-23-29-19-7-10-33-21(19)22(30-23)27-16-3-6-18-14(11-16)12-26-31-18/h2*1-14H,(H,26,31)(H2,27,28,29,30);1-13H,(H,26,31)(H2,27,28,29,30).

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

4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1387.67 g/mol, XLogP of 18.84, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-pyridin-4-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).