[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone

C23H27F3N6OS — CID 171533147

IUPAC[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(c3cc(C4CC4)[nH]n3)C2)C1)N1CC2(CN(Cc3ncc(C(F)(F)F)s3)C2)C1
InChIInChI=1S/C23H27F3N6OS/c24-23(25,26)18-6-27-19(34-18)7-30-8-22(9-30)12-32(13-22)20(33)31-10-21(11-31)4-15(5-21)17-3-16(28-29-17)14-1-2-14/h3,6,14-15H,1-2,4-5,7-13H2,(H,28,29)
InChIKeyXIUXVHAPNOCEGJ-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.88
Rot. Bonds4

About [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone

[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533147) has the molecular formula C23H27F3N6OS and a molecular weight of 492.57 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
PubChem CID171533147
Molecular FormulaC23H27F3N6OS
Molecular Weight492.57 g/mol
Exact Mass492.19
IUPAC Name[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(c3cc(C4CC4)[nH]n3)C2)C1)N1CC2(CN(Cc3ncc(C(F)(F)F)s3)C2)C1
InChIInChI=1S/C23H27F3N6OS/c24-23(25,26)18-6-27-19(34-18)7-30-8-22(9-30)12-32(13-22)20(33)31-10-21(11-31)4-15(5-21)17-3-16(28-29-17)14-1-2-14/h3,6,14-15H,1-2,4-5,7-13H2,(H,28,29)
InChIKeyXIUXVHAPNOCEGJ-UHFFFAOYSA-N
XLogP3.88
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone (CID 171533147) is [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(c3cc(C4CC4)[nH]n3)C2)C1)N1CC2(CN(Cc3ncc(C(F)(F)F)s3)C2)C1.
What is the InChIKey of [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is XIUXVHAPNOCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6OS/c24-23(25,26)18-6-27-19(34-18)7-30-8-22(9-30)12-32(13-22)20(33)31-10-21(11-31)4-15(5-21)17-3-16(28-29-17)14-1-2-14/h3,6,14-15H,1-2,4-5,7-13H2,(H,28,29).
What are the key properties of [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone?
[6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 492.57 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).