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

C20H19F3N6O3S — CID 172625249

IUPAC1-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
SMILESCN(C(=O)Nc1cncc(OC(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2
InChIInChI=1S/C20H19F3N6O3S/c1-27(18(31)26-12-4-14(8-24-7-12)32-20(21,22)23)13-5-19(6-13)10-28(11-19)16(30)15-9-25-29-2-3-33-17(15)29/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,26,31)
InChIKeyBTNZMNUWWTVDRS-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.46
Rot. Bonds4

About 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

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 (PubChem CID 172625249) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID172625249
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name1-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
SMILESCN(C(=O)Nc1cncc(OC(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2
InChIInChI=1S/C20H19F3N6O3S/c1-27(18(31)26-12-4-14(8-24-7-12)32-20(21,22)23)13-5-19(6-13)10-28(11-19)16(30)15-9-25-29-2-3-33-17(15)29/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,26,31)
InChIKeyBTNZMNUWWTVDRS-UHFFFAOYSA-N
XLogP3.46
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[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-(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-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]urea
CID 172625363
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
1-methyl-1-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625179
[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] (NE)-N-[(Z)-1-amino-4,4,4-trifluoro-3-(methylamino)but-2-enylidene]carbamate
CID 172625332
3-(4-iodo-2-pyridinyl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625210
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)Nc1cncc(OC(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2.
What is the InChIKey of 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?
The InChIKey is BTNZMNUWWTVDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-27(18(31)26-12-4-14(8-24-7-12)32-20(21,22)23)13-5-19(6-13)10-28(11-19)16(30)15-9-25-29-2-3-33-17(15)29/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,26,31).
What are the key properties of 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?
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 has a molecular weight of 480.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).