3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C24H27ClFN3O3S — CID 50832665

IUPAC3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)c(C)c1
InChIInChI=1S/C24H27ClFN3O3S/c1-15-9-16(2)24(17(3)10-15)33(30,31)29-8-7-23-20(12-29)22(27-28(23)4)14-32-13-18-5-6-19(26)11-21(18)25/h5-6,9-11H,7-8,12-14H2,1-4H3
InChIKeyYUZAVECHMYPBMY-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.60
Rot. Bonds6

About 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832665) has the molecular formula C24H27ClFN3O3S and a molecular weight of 492.02 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50832665
Molecular FormulaC24H27ClFN3O3S
Molecular Weight492.02 g/mol
Exact Mass491.14
IUPAC Name3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)c(C)c1
InChIInChI=1S/C24H27ClFN3O3S/c1-15-9-16(2)24(17(3)10-15)33(30,31)29-8-7-23-20(12-29)22(27-28(23)4)14-32-13-18-5-6-19(26)11-21(18)25/h5-6,9-11H,7-8,12-14H2,1-4H3
InChIKeyYUZAVECHMYPBMY-UHFFFAOYSA-N
XLogP4.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832665) is 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)c(C)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is YUZAVECHMYPBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O3S/c1-15-9-16(2)24(17(3)10-15)33(30,31)29-8-7-23-20(12-29)22(27-28(23)4)14-32-13-18-5-6-19(26)11-21(18)25/h5-6,9-11H,7-8,12-14H2,1-4H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 492.02 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).