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

C20H26FN5O4S — CID 164738783

IUPACN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CCC4(CCCOC4)C3)nc12
InChIInChI=1S/C20H26FN5O4S/c1-28-17-13-15(14(16(21)23-17)25-6-9-29-10-7-25)31-18(22-13)24-19(27)26-5-4-20(11-26)3-2-8-30-12-20/h2-12H2,1H3,(H,22,24,27)
InChIKeyJTHJZUHOBZLBRD-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.71
Rot. Bonds3

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

N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164738783) has the molecular formula C20H26FN5O4S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738783
Molecular FormulaC20H26FN5O4S
Molecular Weight451.52 g/mol
Exact Mass451.17
IUPAC NameN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CCC4(CCCOC4)C3)nc12
InChIInChI=1S/C20H26FN5O4S/c1-28-17-13-15(14(16(21)23-17)25-6-9-29-10-7-25)31-18(22-13)24-19(27)26-5-4-20(11-26)3-2-8-30-12-20/h2-12H2,1H3,(H,22,24,27)
InChIKeyJTHJZUHOBZLBRD-UHFFFAOYSA-N
XLogP2.71
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738783) is N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CCC4(CCCOC4)C3)nc12.
What is the InChIKey of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is JTHJZUHOBZLBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4S/c1-28-17-13-15(14(16(21)23-17)25-6-9-29-10-7-25)31-18(22-13)24-19(27)26-5-4-20(11-26)3-2-8-30-12-20/h2-12H2,1H3,(H,22,24,27).
What are the key properties of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 2.71, 3 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-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164738783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).