2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide

C20H18F3N5O3S — CID 172625304

IUPAC2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide
SMILESO=C(CC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2)Nc1cncc(OC(F)(F)F)c1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)31-14-4-13(7-24-8-14)26-16(29)3-12-5-19(6-12)10-27(11-19)17(30)15-9-25-28-1-2-32-18(15)28/h1-2,4,7-9,12H,3,5-6,10-11H2,(H,26,29)
InChIKeyXSYXPQHKXZUVQC-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.57
Rot. Bonds5

About 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide

2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide (PubChem CID 172625304) has the molecular formula C20H18F3N5O3S and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide
PubChem CID172625304
Molecular FormulaC20H18F3N5O3S
Molecular Weight465.46 g/mol
Exact Mass465.11
IUPAC Name2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide
SMILESO=C(CC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2)Nc1cncc(OC(F)(F)F)c1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)31-14-4-13(7-24-8-14)26-16(29)3-12-5-19(6-12)10-27(11-19)17(30)15-9-25-28-1-2-32-18(15)28/h1-2,4,7-9,12H,3,5-6,10-11H2,(H,26,29)
InChIKeyXSYXPQHKXZUVQC-UHFFFAOYSA-N
XLogP3.57
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide with MolForge

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Related Compounds

1-methyl-1-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethoxy)-3-pyridinyl]urea
CID 172625249
2-[2-[1-(trideuteriomethyl)imidazo[2,1-e]pyrazole-7-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(trifluoromethoxy)-2-pyridinyl]acetamide
CID 172625066
[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 178068790
1-methyl-1-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 172625019
1-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625197
1-[2-[1-(2-methoxyethoxymethyl)imidazo[2,1-e]pyrazole-7-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-1-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625395
2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 171682222
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625186
1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625273
[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 160979593
1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625043
3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine
CID 154873144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide (CID 172625304) is 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide is O=C(CC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2)Nc1cncc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide?
The InChIKey is XSYXPQHKXZUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S/c21-20(22,23)31-14-4-13(7-24-8-14)26-16(29)3-12-5-19(6-12)10-27(11-19)17(30)15-9-25-28-1-2-32-18(15)28/h1-2,4,7-9,12H,3,5-6,10-11H2,(H,26,29).
What are the key properties of 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide?
2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide has a molecular weight of 465.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-N-[5-(trifluoromethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 172625304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).