7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine

C110H111ClF6N32O7S6 — CID 158099545

About 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine

7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 158099545) has the molecular formula C110H111ClF6N32O7S6 and a molecular weight of 2335.16 g/mol. Its IUPAC name is 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine
• PubChem CID: 158099545
• Molecular Formula: C110H111ClF6N32O7S6
• Molecular Weight: 2335.16 g/mol
• Exact Mass: 2332.72
• IUPAC Name: 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCNC(=O)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1.CN(C)CCCOc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN1CCN(c2nc3c(N4CCc5cc(F)ccc54)ncnc3s2)CC1.Fc1ccc2c(c1)CCN2c1ncnc2sc(N3CCOCC3)nc12.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(Cl)cc(F)c43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1
• InChI: InChI=1S/C19H17ClFN5O2S.C19H21FN6OS.C19H18FN5O2S.C18H19FN6S.C18H20FN5OS.C17H16FN5OS/c20-11-7-10-1-4-26(15(10)13(21)8-11)16-14-18(23-9-22-16)29-19(25-14)17(27)24-12-2-5-28-6-3-12;1-25(2)9-4-8-21-17(27)19-24-14-16(22-11-23-18(14)28-19)26-10-7-12-5-3-6-13(20)15(12)26;20-13-3-1-2-11-4-7-25(15(11)13)16-14-18(22-10-21-16)28-19(24-14)17(26)23-12-5-8-27-9-6-12;1-23-6-8-24(9-7-23)18-22-15-16(20-11-21-17(15)26-18)25-5-4-12-10-13(19)2-3-14(12)25;1-23(2)7-3-9-25-18-22-15-16(20-11-21-17(15)26-18)24-8-6-12-10-13(19)4-5-14(12)24;18-12-1-2-13-11(9-12)3-4-23(13)15-14-16(20-10-19-15)25-17(21-14)22-5-7-24-8-6-22/h7-9,12H,1-6H2,(H,24,27);3,5-6,11H,4,7-10H2,1-2H3,(H,21,27);1-3,10,12H,4-9H2,(H,23,26);2-3,10-11H,4-9H2,1H3;4-5,10-11H,3,6-9H2,1-2H3;1-2,9-10H,3-8H2
• InChIKey: FPBYGDZRIQMALV-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 391.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.16
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine?

The IUPAC name of 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine (CID 158099545) is 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine?

The canonical SMILES for 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCNC(=O)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1.CN(C)CCCOc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN1CCN(c2nc3c(N4CCc5cc(F)ccc54)ncnc3s2)CC1.Fc1ccc2c(c1)CCN2c1ncnc2sc(N3CCOCC3)nc12.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(Cl)cc(F)c43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1.

What is the InChIKey of 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine?

The InChIKey is FPBYGDZRIQMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2S.C19H21FN6OS.C19H18FN5O2S.C18H19FN6S.C18H20FN5OS.C17H16FN5OS/c20-11-7-10-1-4-26(15(10)13(21)8-11)16-14-18(23-9-22-16)29-19(25-14)17(27)24-12-2-5-28-6-3-12;1-25(2)9-4-8-21-17(27)19-24-14-16(22-11-23-18(14)28-19)26-10-7-12-5-3-6-13(20)15(12)26;20-13-3-1-2-11-4-7-25(15(11)13)16-14-18(22-10-21-16)28-19(24-14)17(26)23-12-5-8-27-9-6-12;1-23-6-8-24(9-7-23)18-22-15-16(20-11-21-17(15)26-18)25-5-4-12-10-13(19)2-3-14(12)25;1-23(2)7-3-9-25-18-22-15-16(20-11-21-17(15)26-18)24-8-6-12-10-13(19)4-5-14(12)24;18-12-1-2-13-11(9-12)3-4-23(13)15-14-16(20-10-19-15)25-17(21-14)22-5-7-24-8-6-22/h7-9,12H,1-6H2,(H,24,27);3,5-6,11H,4,7-10H2,1-2H3,(H,21,27);1-3,10,12H,4-9H2,(H,23,26);2-3,10-11H,4-9H2,1H3;4-5,10-11H,3,6-9H2,1-2H3;1-2,9-10H,3-8H2.

What are the key properties of 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine?

7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 2335.16 g/mol, XLogP of 17.59, 22 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 158099545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).