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

C21H24F2N6O3S — CID 164738661

IUPACN-[7-[1-(2,2-difluoroethyl)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(CC(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C21H24F2N6O3S/c1-31-18-16-17(14(9-24-18)13-8-25-29(10-13)11-15(22)23)33-19(26-16)27-20(30)28-5-2-21(12-28)3-6-32-7-4-21/h8-10,15H,2-7,11-12H2,1H3,(H,26,27,30)
InChIKeyZYLULHBCJLLIBQ-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.86
Rot. Bonds5

About N-[7-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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 164738661) has the molecular formula C21H24F2N6O3S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[7-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738661
Molecular FormulaC21H24F2N6O3S
Molecular Weight478.53 g/mol
Exact Mass478.16
IUPAC NameN-[7-[1-(2,2-difluoroethyl)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(CC(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C21H24F2N6O3S/c1-31-18-16-17(14(9-24-18)13-8-25-29(10-13)11-15(22)23)33-19(26-16)27-20(30)28-5-2-21(12-28)3-6-32-7-4-21/h8-10,15H,2-7,11-12H2,1H3,(H,26,27,30)
InChIKeyZYLULHBCJLLIBQ-UHFFFAOYSA-N
XLogP3.86
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-[1-(2,2-difluoroethyl)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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Frequently Asked Questions

What is the IUPAC name of N-[7-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738661) is N-[7-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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(CC(F)F)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[7-[1-(2,2-difluoroethyl)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 ZYLULHBCJLLIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O3S/c1-31-18-16-17(14(9-24-18)13-8-25-29(10-13)11-15(22)23)33-19(26-16)27-20(30)28-5-2-21(12-28)3-6-32-7-4-21/h8-10,15H,2-7,11-12H2,1H3,(H,26,27,30).
What are the key properties of N-[7-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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 478.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-(2,2-difluoroethyl)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 164738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).