4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

C24H21FN4O3S2 — CID 20746007

About 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (PubChem CID 20746007) has the molecular formula C24H21FN4O3S2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
• PubChem CID: 20746007
• Molecular Formula: C24H21FN4O3S2
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.10
• IUPAC Name: 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
• SMILES: CNC(=O)n1c(C)cc2c(F)c(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc21
• InChI: InChI=1S/C24H21FN4O3S2/c1-12-9-13-15(29(12)23(30)26-4)5-6-16(20(13)25)32-17-7-8-27-14-10-18(34-21(14)17)22-28-19(11-33-22)24(2,3)31/h5-11,31H,1-4H3,(H,26,30)
• InChIKey: HTFZIOJSJNBZDP-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The IUPAC name of 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (CID 20746007) is 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

What is the SMILES notation for 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The canonical SMILES for 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2c(F)c(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc21.

What is the InChIKey of 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The InChIKey is HTFZIOJSJNBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S2/c1-12-9-13-15(29(12)23(30)26-4)5-6-16(20(13)25)32-17-7-8-27-14-10-18(34-21(14)17)22-28-19(11-33-22)24(2,3)31/h5-11,31H,1-4H3,(H,26,30).

What are the key properties of 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-5-[2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 20746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).