6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C20H28F2N4O3S — CID 169144052

IUPAC6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C20H28F2N4O3S/c21-18(22)16-7-17(26(23-16)14-1-2-14)30(27,28)25-5-3-19(4-6-25)8-15(9-19)24-10-20(11-24)12-29-13-20/h7,14-15,18H,1-6,8-13H2
InChIKeyQJJGUKRJIGPCEU-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.42
Rot. Bonds5

About 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144052) has the molecular formula C20H28F2N4O3S and a molecular weight of 442.53 g/mol. Its IUPAC name is 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144052
Molecular FormulaC20H28F2N4O3S
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Name6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C20H28F2N4O3S/c21-18(22)16-7-17(26(23-16)14-1-2-14)30(27,28)25-5-3-19(4-6-25)8-15(9-19)24-10-20(11-24)12-29-13-20/h7,14-15,18H,1-6,8-13H2
InChIKeyQJJGUKRJIGPCEU-UHFFFAOYSA-N
XLogP2.42
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144052) is 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is O=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2.
What is the InChIKey of 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is QJJGUKRJIGPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3S/c21-18(22)16-7-17(26(23-16)14-1-2-14)30(27,28)25-5-3-19(4-6-25)8-15(9-19)24-10-20(11-24)12-29-13-20/h7,14-15,18H,1-6,8-13H2.
What are the key properties of 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 442.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).