[(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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate

C30H31FN6O5S — CID 139522535

IUPAC[(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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate
SMILESCOc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(CC(C)(C)O)nc5)nc4s3)cc(C)cc2n1
InChIInChI=1S/C30H31FN6O5S/c1-15-9-20(25-22(10-15)35-24(40-6)14-33-25)27-36-23-11-21(31)26(37-28(23)43-27)41-16(2)17(3)42-29(38)34-19-8-7-18(32-13-19)12-30(4,5)39/h7-11,13-14,16-17,39H,12H2,1-6H3,(H,34,38)/t16-,17+/m0/s1
InChIKeyQVOUCDNTSKNFRP-DLBZAZTESA-N
MW606.68 g/mol
LogP5.87
Rot. Bonds9

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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate (PubChem CID 139522535) has the molecular formula C30H31FN6O5S and a molecular weight of 606.68 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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate
PubChem CID139522535
Molecular FormulaC30H31FN6O5S
Molecular Weight606.68 g/mol
Exact Mass606.21
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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate
SMILESCOc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(CC(C)(C)O)nc5)nc4s3)cc(C)cc2n1
InChIInChI=1S/C30H31FN6O5S/c1-15-9-20(25-22(10-15)35-24(40-6)14-33-25)27-36-23-11-21(31)26(37-28(23)43-27)41-16(2)17(3)42-29(38)34-19-8-7-18(32-13-19)12-30(4,5)39/h7-11,13-14,16-17,39H,12H2,1-6H3,(H,34,38)/t16-,17+/m0/s1
InChIKeyQVOUCDNTSKNFRP-DLBZAZTESA-N
XLogP5.87
TPSA141.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [(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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate (CID 139522535) 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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate is COc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(CC(C)(C)O)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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate?
The InChIKey is QVOUCDNTSKNFRP-DLBZAZTESA-N. The full InChI is InChI=1S/C30H31FN6O5S/c1-15-9-20(25-22(10-15)35-24(40-6)14-33-25)27-36-23-11-21(31)26(37-28(23)43-27)41-16(2)17(3)42-29(38)34-19-8-7-18(32-13-19)12-30(4,5)39/h7-11,13-14,16-17,39H,12H2,1-6H3,(H,34,38)/t16-,17+/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-(2-hydroxy-2-methylpropyl)-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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate has a molecular weight of 606.68 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 11 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-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 139522535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).