4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one

C17H15F3N4O3S — CID 46891002

IUPAC4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)10-3-4-12(21-7-10)28(26,27)24-14(9-1-2-9)11-8-22-23-13(11)15(25)16(24)5-6-16/h3-4,7-9,14H,1-2,5-6H2,(H,22,23)
InChIKeyOQFIYWHZRVZQML-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.69
Rot. Bonds3

About 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one

4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one (PubChem CID 46891002) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
PubChem CID46891002
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC Name4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)10-3-4-12(21-7-10)28(26,27)24-14(9-1-2-9)11-8-22-23-13(11)15(25)16(24)5-6-16/h3-4,7-9,14H,1-2,5-6H2,(H,22,23)
InChIKeyOQFIYWHZRVZQML-UHFFFAOYSA-N
XLogP2.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24866176
(4R)-4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45101437
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 25095935
4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865432
5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865609
4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891577
4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline-8-carbonitrile
CID 45101471
8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 166281994
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
11-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3,9-triene
CID 67309088
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one?
The IUPAC name of 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one (CID 46891002) is 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one.
What is the SMILES notation for 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one?
The canonical SMILES for 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one is O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2.
What is the InChIKey of 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one?
The InChIKey is OQFIYWHZRVZQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c18-17(19,20)10-3-4-12(21-7-10)28(26,27)24-14(9-1-2-9)11-8-22-23-13(11)15(25)16(24)5-6-16/h3-4,7-9,14H,1-2,5-6H2,(H,22,23).
What are the key properties of 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one?
4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one has a molecular weight of 412.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one is sourced from PubChem (CID 46891002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).