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

C20H25FN4O4S — CID 164738732

IUPAC(5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1nc(F)c(C2CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12
InChIInChI=1S/C20H25FN4O4S/c1-27-17-14-15(13(16(21)23-17)12-2-7-28-8-3-12)30-18(22-14)24-19(26)25-6-4-20(10-25)5-9-29-11-20/h12H,2-11H2,1H3,(H,22,24,26)/t20-/m1/s1
InChIKeyNBQFFJNRDYZBDR-HXUWFJFHSA-N
MW436.51 g/mol
LogP3.38
Rot. Bonds3

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

(5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 164738732) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID164738732
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name(5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCOc1nc(F)c(C2CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12
InChIInChI=1S/C20H25FN4O4S/c1-27-17-14-15(13(16(21)23-17)12-2-7-28-8-3-12)30-18(22-14)24-19(26)25-6-4-20(10-25)5-9-29-11-20/h12H,2-11H2,1H3,(H,22,24,26)/t20-/m1/s1
InChIKeyNBQFFJNRDYZBDR-HXUWFJFHSA-N
XLogP3.38
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-N-[6-fluoro-4-methoxy-7-(oxan-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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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 164738732) is (5R)-N-[6-fluoro-4-methoxy-7-(oxan-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 (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is COc1nc(F)c(C2CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCOC4)C3)nc12.
What is the InChIKey of (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is NBQFFJNRDYZBDR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN4O4S/c1-27-17-14-15(13(16(21)23-17)12-2-7-28-8-3-12)30-18(22-14)24-19(26)25-6-4-20(10-25)5-9-29-11-20/h12H,2-11H2,1H3,(H,22,24,26)/t20-/m1/s1.
What are the key properties of (5R)-N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[6-fluoro-4-methoxy-7-(oxan-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 436.51 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[6-fluoro-4-methoxy-7-(oxan-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 164738732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).