[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate

C32H32FN7O7S — CID 139523069

About [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate

[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate (PubChem CID 139523069) has the molecular formula C32H32FN7O7S and a molecular weight of 677.72 g/mol. Its IUPAC name is [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate
• PubChem CID: 139523069
• Molecular Formula: C32H32FN7O7S
• Molecular Weight: 677.72 g/mol
• Exact Mass: 677.21
• IUPAC Name: [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate
• SMILES: COc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(C(=O)N6CCOCC6CO)nc5)nc4s3)cc(C)cc2n1
• InChI: InChI=1S/C32H32FN7O7S/c1-16-9-21(27-24(10-16)37-26(44-4)13-35-27)29-38-25-11-22(33)28(39-30(25)48-29)46-17(2)18(3)47-32(43)36-19-5-6-23(34-12-19)31(42)40-7-8-45-15-20(40)14-41/h5-6,9-13,17-18,20,41H,7-8,14-15H2,1-4H3,(H,36,43)/t17-,18+,20?/m0/s1
• InChIKey: RIGASIJVIZCXFM-IVAAQHKWSA-N
• XLogP: 4.39
• TPSA: 171.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.72
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate?

The IUPAC name of [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate (CID 139523069) is [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate.

What is the SMILES notation for [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate?

The canonical SMILES for [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate is COc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(C(=O)N6CCOCC6CO)nc5)nc4s3)cc(C)cc2n1.

What is the InChIKey of [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate?

The InChIKey is RIGASIJVIZCXFM-IVAAQHKWSA-N. The full InChI is InChI=1S/C32H32FN7O7S/c1-16-9-21(27-24(10-16)37-26(44-4)13-35-27)29-38-25-11-22(33)28(39-30(25)48-29)46-17(2)18(3)47-32(43)36-19-5-6-23(34-12-19)31(42)40-7-8-45-15-20(40)14-41/h5-6,9-13,17-18,20,41H,7-8,14-15H2,1-4H3,(H,36,43)/t17-,18+,20?/m0/s1.

What are the key properties of [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate?

[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate has a molecular weight of 677.72 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 139523069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).