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

C24H29N3O3S — CID 53018467

IUPAC5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1
InChIInChI=1S/C24H29N3O3S/c1-4-20-7-5-6-8-24(20)31(28,29)27-14-13-23-21(15-27)22(25-26(23)3)17-30-16-19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3
InChIKeyUHDMNHRSFVQNNS-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.75
Rot. Bonds7

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

5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 53018467) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID53018467
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1
InChIInChI=1S/C24H29N3O3S/c1-4-20-7-5-6-8-24(20)31(28,29)27-14-13-23-21(15-27)22(25-26(23)3)17-30-16-19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3
InChIKeyUHDMNHRSFVQNNS-UHFFFAOYSA-N
XLogP3.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 53018467) is 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1.
What is the InChIKey of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is UHDMNHRSFVQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-20-7-5-6-8-24(20)31(28,29)27-14-13-23-21(15-27)22(25-26(23)3)17-30-16-19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3.
What are the key properties of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 439.58 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53018467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).