N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C25H29FN4O5S — CID 142524361

IUPACN-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOCCOc1cccc(-c2c(F)nc(OC)c3nc(NC(=O)N4CCC5(CCOCC5)C4)sc23)c1
InChIInChI=1S/C25H29FN4O5S/c1-32-12-13-35-17-5-3-4-16(14-17)18-20-19(22(33-2)28-21(18)26)27-23(36-20)29-24(31)30-9-6-25(15-30)7-10-34-11-8-25/h3-5,14H,6-13,15H2,1-2H3,(H,27,29,31)
InChIKeyVJJFCDZEJYEROR-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.57
Rot. Bonds7

About N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 142524361) has the molecular formula C25H29FN4O5S and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID142524361
Molecular FormulaC25H29FN4O5S
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC NameN-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOCCOc1cccc(-c2c(F)nc(OC)c3nc(NC(=O)N4CCC5(CCOCC5)C4)sc23)c1
InChIInChI=1S/C25H29FN4O5S/c1-32-12-13-35-17-5-3-4-16(14-17)18-20-19(22(33-2)28-21(18)26)27-23(36-20)29-24(31)30-9-6-25(15-30)7-10-34-11-8-25/h3-5,14H,6-13,15H2,1-2H3,(H,27,29,31)
InChIKeyVJJFCDZEJYEROR-UHFFFAOYSA-N
XLogP4.57
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

M1069 (free base)
CID 154659422
1-[2-[1'-(2,2-dimethylpropyl)-4-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 118130540
1'-acetyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[3-(trifluoromethyl)phenoxy]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449443
1'-acetyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenoxy]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449476
1'-acetyl-5-(3-fluorophenoxy)-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449801
N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524358
N-[7-(3-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524371
N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524374
N-[7-(2-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524391
(3S)-3-fluoro-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 142524407
N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524415
4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 142524459

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 142524361) is N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COCCOc1cccc(-c2c(F)nc(OC)c3nc(NC(=O)N4CCC5(CCOCC5)C4)sc23)c1.
What is the InChIKey of N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is VJJFCDZEJYEROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5S/c1-32-12-13-35-17-5-3-4-16(14-17)18-20-19(22(33-2)28-21(18)26)27-23(36-20)29-24(31)30-9-6-25(15-30)7-10-34-11-8-25/h3-5,14H,6-13,15H2,1-2H3,(H,27,29,31).
What are the key properties of N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 142524361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).