7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C84H93F6N25O6S4 — CID 162043397

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 162043397) has the molecular formula C84H93F6N25O6S4 and a molecular weight of 1791.09 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 162043397
• Molecular Formula: C84H93F6N25O6S4
• Molecular Weight: 1791.09 g/mol
• Exact Mass: 1789.65
• IUPAC Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)(O)CC1CN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccccc21.CN1CCN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccc(F)cc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(F)(F)F)ncnc2s1
• InChI: InChI=1S/C24H30N6O2S.C21H24FN7OS.C20H21FN6OS.C19H18F4N6O2S/c1-24(2,32)11-16-13-30(18-6-4-3-5-17(16)18)20-19-22(28-14-27-20)33-23(29-19)21(31)26-12-15-7-9-25-10-8-15;1-28-8-9-29(15-3-2-14(22)10-16(15)28)18-17-20(26-12-25-18)31-21(27-17)19(30)24-11-13-4-6-23-7-5-13;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;20-11-1-2-12(13(7-11)31-19(21,22)23)28-15-14-17(27-9-26-15)32-18(29-14)16(30)25-8-10-3-5-24-6-4-10/h3-6,14-16,25,32H,7-13H2,1-2H3,(H,26,31);2-3,10,12-13,23H,4-9,11H2,1H3,(H,24,30);1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-2,7,9-10,24H,3-6,8H2,(H,25,30)(H,26,27,28)
• InChIKey: YXOPUDGBYDUZTH-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 373.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1791.09
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 162043397) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)(O)CC1CN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccccc21.CN1CCN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccc(F)cc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(F)(F)F)ncnc2s1.

What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is YXOPUDGBYDUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S.C21H24FN7OS.C20H21FN6OS.C19H18F4N6O2S/c1-24(2,32)11-16-13-30(18-6-4-3-5-17(16)18)20-19-22(28-14-27-20)33-23(29-19)21(31)26-12-15-7-9-25-10-8-15;1-28-8-9-29(15-3-2-14(22)10-16(15)28)18-17-20(26-12-25-18)31-21(27-17)19(30)24-11-13-4-6-23-7-5-13;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;20-11-1-2-12(13(7-11)31-19(21,22)23)28-15-14-17(27-9-26-15)32-18(29-14)16(30)25-8-10-3-5-24-6-4-10/h3-6,14-16,25,32H,7-13H2,1-2H3,(H,26,31);2-3,10,12-13,23H,4-9,11H2,1H3,(H,24,30);1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-2,7,9-10,24H,3-6,8H2,(H,25,30)(H,26,27,28).

What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-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)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1791.09 g/mol, XLogP of 12.00, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxy-2-methylpropyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 162043397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).