(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H24FN5O4S — CID 164738714

IUPAC(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CC[C@]4(CCOC4)C3)nc12
InChIInChI=1S/C19H24FN5O4S/c1-27-16-12-14(13(15(20)22-16)24-5-8-28-9-6-24)30-17(21-12)23-18(26)25-4-2-19(10-25)3-7-29-11-19/h2-11H2,1H3,(H,21,23,26)/t19-/m0/s1
InChIKeyJUAZHLBYLCOYTO-IBGZPJMESA-N
MW437.50 g/mol
LogP2.32
Rot. Bonds3

About (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 164738714) has the molecular formula C19H24FN5O4S and a molecular weight of 437.50 g/mol. Its IUPAC name is (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID164738714
Molecular FormulaC19H24FN5O4S
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CC[C@]4(CCOC4)C3)nc12
InChIInChI=1S/C19H24FN5O4S/c1-27-16-12-14(13(15(20)22-16)24-5-8-28-9-6-24)30-17(21-12)23-18(26)25-4-2-19(10-25)3-7-29-11-19/h2-11H2,1H3,(H,21,23,26)/t19-/m0/s1
InChIKeyJUAZHLBYLCOYTO-IBGZPJMESA-N
XLogP2.32
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
M1069 (free base)
CID 154659422
N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 142524367
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
(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-[4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 142524484
3-[4-(Fluoromethoxy)-7-[2-methoxyethyl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(3-hydroxy-3-methylbutyl)-1-methylurea
CID 146653008
N-[7-(6-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 146653041
N-(7-cyclohexa-1,3-dien-1-yl-6-fluoro-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 146653044
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide
CID 146653124
N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 154659416
N-[7-(5-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 162488158

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 164738714) is (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is COc1nc(F)c(N2CCOCC2)c2sc(NC(=O)N3CC[C@]4(CCOC4)C3)nc12.
What is the InChIKey of (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is JUAZHLBYLCOYTO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN5O4S/c1-27-16-12-14(13(15(20)22-16)24-5-8-28-9-6-24)30-17(21-12)23-18(26)25-4-2-19(10-25)3-7-29-11-19/h2-11H2,1H3,(H,21,23,26)/t19-/m0/s1.
What are the key properties of (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 164738714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).