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

C21H21F2N3O3S — CID 50832766

IUPAC5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2
InChIInChI=1S/C21H21F2N3O3S/c1-25-20-9-10-26(30(27,28)21-11-16(22)7-8-18(21)23)12-17(20)19(24-25)14-29-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyRRRFBGIQEUVDOC-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.16
Rot. Bonds6

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

5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832766) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50832766
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2
InChIInChI=1S/C21H21F2N3O3S/c1-25-20-9-10-26(30(27,28)21-11-16(22)7-8-18(21)23)12-17(20)19(24-25)14-29-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyRRRFBGIQEUVDOC-UHFFFAOYSA-N
XLogP3.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
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-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832766) is 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is RRRFBGIQEUVDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-25-20-9-10-26(30(27,28)21-11-16(22)7-8-18(21)23)12-17(20)19(24-25)14-29-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 433.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).