7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C71H75F3N20OS4 — CID 159909853

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 159909853) has the molecular formula C71H75F3N20OS4 and a molecular weight of 1409.78 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 159909853
• Molecular Formula: C71H75F3N20OS4
• Molecular Weight: 1409.78 g/mol
• Exact Mass: 1408.53
• IUPAC Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CN(C)CCCCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)CCCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.Cc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)NCC3CCNCC3)nc12.Fc1ccc2c(c1)CCN2c1ncnc2scnc12
• InChI: InChI=1S/C21H24N6OS.C19H22FN5S.C18H20FN5S.C13H9FN4S/c1-13-2-3-16-15(10-13)6-9-27(16)18-17-20(25-12-24-18)29-21(26-17)19(28)23-11-14-4-7-22-8-5-14;1-24(2)9-4-3-5-16-23-17-18(21-12-22-19(17)26-16)25-10-8-13-11-14(20)6-7-15(13)25;1-23(2)8-3-4-15-22-16-17(20-11-21-18(16)25-15)24-9-7-12-10-13(19)5-6-14(12)24;14-9-1-2-10-8(5-9)3-4-18(10)12-11-13(16-6-15-12)19-7-17-11/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,28);6-7,11-12H,3-5,8-10H2,1-2H3;5-6,10-11H,3-4,7-9H2,1-2H3;1-2,5-7H,3-4H2
• InChIKey: NXAXDGBLQUVYEJ-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 215.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.78
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 159909853) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)CCCCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)CCCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.Cc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)NCC3CCNCC3)nc12.Fc1ccc2c(c1)CCN2c1ncnc2scnc12.

What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is NXAXDGBLQUVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS.C19H22FN5S.C18H20FN5S.C13H9FN4S/c1-13-2-3-16-15(10-13)6-9-27(16)18-17-20(25-12-24-18)29-21(26-17)19(28)23-11-14-4-7-22-8-5-14;1-24(2)9-4-3-5-16-23-17-18(21-12-22-19(17)26-16)25-10-8-13-11-14(20)6-7-15(13)25;1-23(2)8-3-4-15-22-16-17(20-11-21-18(16)25-15)24-9-7-12-10-13(19)5-6-14(12)24;14-9-1-2-10-8(5-9)3-4-18(10)12-11-13(16-6-15-12)19-7-17-11/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,28);6-7,11-12H,3-5,8-10H2,1-2H3;5-6,10-11H,3-4,7-9H2,1-2H3;1-2,5-7H,3-4H2.

What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1409.78 g/mol, XLogP of 12.96, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 159909853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).