5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C20H18F3N3O3S — CID 53018484

IUPAC5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C20H18F3N3O3S/c1-25-19-8-9-26(30(27,28)20-7-4-14(22)10-17(20)23)11-16(19)18(24-25)12-29-15-5-2-13(21)3-6-15/h2-7,10H,8-9,11-12H2,1H3
InChIKeyOBPYXVHUGFCMAT-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.16
Rot. Bonds5

About 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 53018484) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID53018484
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C20H18F3N3O3S/c1-25-19-8-9-26(30(27,28)20-7-4-14(22)10-17(20)23)11-16(19)18(24-25)12-29-15-5-2-13(21)3-6-15/h2-7,10H,8-9,11-12H2,1H3
InChIKeyOBPYXVHUGFCMAT-UHFFFAOYSA-N
XLogP3.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 53018484) is 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is OBPYXVHUGFCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-25-19-8-9-26(30(27,28)20-7-4-14(22)10-17(20)23)11-16(19)18(24-25)12-29-15-5-2-13(21)3-6-15/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 437.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfonyl-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53018484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).