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

C20H22F2N6O3S — CID 164738818

IUPACN-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cnn(C(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C20H22F2N6O3S/c1-30-16-14-15(13(9-23-16)12-8-24-28(10-12)17(21)22)32-18(25-14)26-19(29)27-5-2-20(11-27)3-6-31-7-4-20/h8-10,17H,2-7,11H2,1H3,(H,25,26,29)
InChIKeyAUAYLXGFEBBYRA-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.99
Rot. Bonds4

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

N-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164738818) has the molecular formula C20H22F2N6O3S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[7-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738818
Molecular FormulaC20H22F2N6O3S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC NameN-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cnn(C(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C20H22F2N6O3S/c1-30-16-14-15(13(9-23-16)12-8-24-28(10-12)17(21)22)32-18(25-14)26-19(29)27-5-2-20(11-27)3-6-31-7-4-20/h8-10,17H,2-7,11H2,1H3,(H,25,26,29)
InChIKeyAUAYLXGFEBBYRA-UHFFFAOYSA-N
XLogP3.99
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[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

1-Ethyl-3-[6-(1-methylpyrazol-4-yl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352843
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
M1069 (free base)
CID 154659422
1-[2-Methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134213526
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-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
CID 142524384
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-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
CID 142524479

Frequently Asked Questions

What is the IUPAC name of N-[7-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738818) is N-[7-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(-c2cnn(C(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is AUAYLXGFEBBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O3S/c1-30-16-14-15(13(9-23-16)12-8-24-28(10-12)17(21)22)32-18(25-14)26-19(29)27-5-2-20(11-27)3-6-31-7-4-20/h8-10,17H,2-7,11H2,1H3,(H,25,26,29).
What are the key properties of N-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[7-[1-(difluoromethyl)pyrazol-4-yl]-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 464.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-(difluoromethyl)pyrazol-4-yl]-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 164738818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).