N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H24N4O5S — CID 53066718

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1
InChIInChI=1S/C23H24N4O5S/c1-15-4-3-5-17(10-15)33(29,30)27-9-8-19-18(13-27)22(25-26(19)2)23(28)24-12-16-6-7-20-21(11-16)32-14-31-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,24,28)
InChIKeyFOKNGVRETAFYKO-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.13
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066718) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066718
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1
InChIInChI=1S/C23H24N4O5S/c1-15-4-3-5-17(10-15)33(29,30)27-9-8-19-18(13-27)22(25-26(19)2)23(28)24-12-16-6-7-20-21(11-16)32-14-31-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,24,28)
InChIKeyFOKNGVRETAFYKO-UHFFFAOYSA-N
XLogP2.13
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066697
1-methyl-N-[(3-methylphenyl)methyl]-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066644
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066603
5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066677
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066637
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066625
N-(1,3-benzodioxol-5-ylmethyl)-5-(cyclopentanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066626
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 46323043
5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066513
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 4879686
5-[2-(4-chlorophenoxy)acetyl]-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066527

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066718) is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FOKNGVRETAFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15-4-3-5-17(10-15)33(29,30)27-9-8-19-18(13-27)22(25-26(19)2)23(28)24-12-16-6-7-20-21(11-16)32-14-31-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).