7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C93H89F5N28O8S5 — CID 158491863

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158491863) has the molecular formula C93H89F5N28O8S5 and a molecular weight of 1982.25 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158491863
• Molecular Formula: C93H89F5N28O8S5
• Molecular Weight: 1982.25 g/mol
• Exact Mass: 1980.59
• IUPAC Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: O=C(NC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1COC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCCO1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCCN1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
• InChI: InChI=1S/C20H22FN7OS.C19H19FN6OS.C19H18FN5O2S.C18H16FN5O2S.C17H14FN5O2S/c21-14-1-2-15-13(11-14)3-7-28(15)17-16-19(25-12-24-17)30-20(26-16)18(29)23-6-10-27-8-4-22-5-9-27;20-12-1-2-14-11(9-12)5-8-26(14)16-15-18(23-10-22-16)28-19(25-15)17(27)24-13-3-6-21-7-4-13;20-12-3-4-14-11(8-12)5-6-25(14)16-15-18(23-10-22-16)28-19(24-15)17(26)21-9-13-2-1-7-27-13;19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12;18-10-1-2-12-9(5-10)3-4-23(12)14-13-16(20-8-19-14)26-17(22-13)15(24)21-11-6-25-7-11/h1-2,11-12,22H,3-10H2,(H,23,29);1-2,9-10,13,21H,3-8H2,(H,24,27);3-4,8,10,13H,1-2,5-7,9H2,(H,21,26);1-2,7,9,12H,3-6,8H2,(H,22,25);1-2,5,8,11H,3-4,6-7H2,(H,21,24)
• InChIKey: HIUILOLTIAZROA-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 410.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1982.25
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158491863) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1COC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCCO1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCCN1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.

What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is HIUILOLTIAZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7OS.C19H19FN6OS.C19H18FN5O2S.C18H16FN5O2S.C17H14FN5O2S/c21-14-1-2-15-13(11-14)3-7-28(15)17-16-19(25-12-24-17)30-20(26-16)18(29)23-6-10-27-8-4-22-5-9-27;20-12-1-2-14-11(9-12)5-8-26(14)16-15-18(23-10-22-16)28-19(25-15)17(27)24-13-3-6-21-7-4-13;20-12-3-4-14-11(8-12)5-6-25(14)16-15-18(23-10-22-16)28-19(24-15)17(26)21-9-13-2-1-7-27-13;19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12;18-10-1-2-12-9(5-10)3-4-23(12)14-13-16(20-8-19-14)26-17(22-13)15(24)21-11-6-25-7-11/h1-2,11-12,22H,3-10H2,(H,23,29);1-2,9-10,13,21H,3-8H2,(H,24,27);3-4,8,10,13H,1-2,5-7,9H2,(H,21,26);1-2,7,9,12H,3-6,8H2,(H,22,25);1-2,5,8,11H,3-4,6-7H2,(H,21,24).

What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1982.25 g/mol, XLogP of 11.27, 18 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158491863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).