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

C22H23FN4O3S — CID 142524358

IUPACN-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2ccc(F)cc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H23FN4O3S/c1-29-19-17-18(16(12-24-19)14-2-4-15(23)5-3-14)31-20(25-17)26-21(28)27-9-6-22(13-27)7-10-30-11-8-22/h2-5,12H,6-11,13H2,1H3,(H,25,26,28)
InChIKeyVVPSWJQZWITNIH-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.54
Rot. Bonds3

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

N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 142524358) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID142524358
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2ccc(F)cc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H23FN4O3S/c1-29-19-17-18(16(12-24-19)14-2-4-15(23)5-3-14)31-20(25-17)26-21(28)27-9-6-22(13-27)7-10-30-11-8-22/h2-5,12H,6-11,13H2,1H3,(H,25,26,28)
InChIKeyVVPSWJQZWITNIH-UHFFFAOYSA-N
XLogP4.54
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 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) is N-[7-(4-fluorophenyl)-4-methoxy-[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-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(-c2ccc(F)cc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is VVPSWJQZWITNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-29-19-17-18(16(12-24-19)14-2-4-15(23)5-3-14)31-20(25-17)26-21(28)27-9-6-22(13-27)7-10-30-11-8-22/h2-5,12H,6-11,13H2,1H3,(H,25,26,28).
What are the key properties of N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 142524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).