7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C99H119F2N25O9S4 — CID 158606623

About 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158606623) has the molecular formula C99H119F2N25O9S4 and a molecular weight of 1969.47 g/mol. Its IUPAC name is 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158606623
• Molecular Formula: C99H119F2N25O9S4
• Molecular Weight: 1969.47 g/mol
• Exact Mass: 1967.85
• IUPAC Name: 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CN(C)CCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccc(F)cc32)CC1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCCC4)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4cc(F)ccc43)ncnc2s1
• InChI: InChI=1S/C26H32FN7O2S.C25H29FN6O3S.C25H30N6O2S.C23H28N6O2S/c1-32-8-10-33(11-9-32)7-4-17-15-34(21-3-2-18(27)14-20(17)21)23-22-25(29-16-28-23)37-26(31-22)24(35)30-19-5-12-36-13-6-19;26-17-1-2-20-19(13-17)16(3-6-31-7-11-35-12-8-31)14-32(20)22-21-24(28-15-27-22)36-25(30-21)23(33)29-18-4-9-34-10-5-18;32-23(28-18-8-13-33-14-9-18)25-29-21-22(26-16-27-24(21)34-25)31-15-17(7-12-30-10-3-4-11-30)19-5-1-2-6-20(19)31;1-28(2)10-7-15-13-29(18-6-4-3-5-17(15)18)20-19-22(25-14-24-20)32-23(27-19)21(30)26-16-8-11-31-12-9-16/h2-3,14,16-17,19H,4-13,15H2,1H3,(H,30,35);1-2,13,15-16,18H,3-12,14H2,(H,29,33);1-2,5-6,16-18H,3-4,7-15H2,(H,28,32);3-6,14-16H,7-13H2,1-2H3,(H,26,30)
• InChIKey: HWHRJLRNTQFYDP-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 346.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.47
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158606623) is 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)CCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccc(F)cc32)CC1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCCC4)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4cc(F)ccc43)ncnc2s1.

What is the InChIKey of 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is HWHRJLRNTQFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2S.C25H29FN6O3S.C25H30N6O2S.C23H28N6O2S/c1-32-8-10-33(11-9-32)7-4-17-15-34(21-3-2-18(27)14-20(17)21)23-22-25(29-16-28-23)37-26(31-22)24(35)30-19-5-12-36-13-6-19;26-17-1-2-20-19(13-17)16(3-6-31-7-11-35-12-8-31)14-32(20)22-21-24(28-15-27-22)36-25(30-21)23(33)29-18-4-9-34-10-5-18;32-23(28-18-8-13-33-14-9-18)25-29-21-22(26-16-27-24(21)34-25)31-15-17(7-12-30-10-3-4-11-30)19-5-1-2-6-20(19)31;1-28(2)10-7-15-13-29(18-6-4-3-5-17(15)18)20-19-22(25-14-24-20)32-23(27-19)21(30)26-16-8-11-31-12-9-16/h2-3,14,16-17,19H,4-13,15H2,1H3,(H,30,35);1-2,13,15-16,18H,3-12,14H2,(H,29,33);1-2,5-6,16-18H,3-4,7-15H2,(H,28,32);3-6,14-16H,7-13H2,1-2H3,(H,26,30).

What are the key properties of 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1969.47 g/mol, XLogP of 13.00, 24 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-(dimethylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158606623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).