1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C64H49N23O2S5 — CID 158576698

About 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158576698) has the molecular formula C64H49N23O2S5 and a molecular weight of 1332.59 g/mol. Its IUPAC name is 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158576698
• Molecular Formula: C64H49N23O2S5
• Molecular Weight: 1332.59 g/mol
• Exact Mass: 1331.30
• IUPAC Name: 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(=O)N1CCc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)ccc21.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1.Cn1nc(-c2cccs2)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
• InChI: InChI=1S/C23H19N7OS.C21H16N8S2.C20H14N8OS2/c1-13(31)30-8-6-14-10-17(3-5-20(14)30)26-23-27-19-7-9-32-21(19)22(28-23)25-16-2-4-18-15(11-16)12-24-29-18;1-29-18(10-16(28-29)17-3-2-7-30-17)25-21-24-15-6-8-31-19(15)20(26-21)23-13-4-5-14-12(9-13)11-22-27-14;1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h2-5,7,9-12H,6,8H2,1H3,(H,24,29)(H2,25,26,27,28);2-11H,1H3,(H,22,27)(H2,23,24,25,26);2-9H,1H3,(H,21,28)(H2,22,23,24,26,27)
• InChIKey: HSTAWSZUXOEPSG-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 308.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1332.59
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 158576698) is 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CC(=O)N1CCc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)ccc21.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1.Cn1nc(-c2cccs2)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.

What is the InChIKey of 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is HSTAWSZUXOEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS.C21H16N8S2.C20H14N8OS2/c1-13(31)30-8-6-14-10-17(3-5-20(14)30)26-23-27-19-7-9-32-21(19)22(28-23)25-16-2-4-18-15(11-16)12-24-29-18;1-29-18(10-16(28-29)17-3-2-7-30-17)25-21-24-15-6-8-31-19(15)20(26-21)23-13-4-5-14-12(9-13)11-22-27-14;1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h2-5,7,9-12H,6,8H2,1H3,(H,24,29)(H2,25,26,27,28);2-11H,1H3,(H,22,27)(H2,23,24,25,26);2-9H,1H3,(H,21,28)(H2,22,23,24,26,27).

What are the key properties of 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1332.59 g/mol, XLogP of 15.55, 14 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158576698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).