N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

C26H32N4O3S — CID 53019199

IUPACN-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccc(CC(C)C)cc1)CC2)c1ccccc1
InChIInChI=1S/C26H32N4O3S/c1-19(2)16-21-10-12-23(13-11-21)34(32,33)29-15-14-26-24(17-29)25(27-28(26)4)18-30(20(3)31)22-8-6-5-7-9-22/h5-13,19H,14-18H2,1-4H3
InChIKeyXNJUZTDZPPKIEG-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.92
Rot. Bonds7

About N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (PubChem CID 53019199) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
PubChem CID53019199
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccc(CC(C)C)cc1)CC2)c1ccccc1
InChIInChI=1S/C26H32N4O3S/c1-19(2)16-21-10-12-23(13-11-21)34(32,33)29-15-14-26-24(17-29)25(27-28(26)4)18-30(20(3)31)22-8-6-5-7-9-22/h5-13,19H,14-18H2,1-4H3
InChIKeyXNJUZTDZPPKIEG-UHFFFAOYSA-N
XLogP3.92
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide
CID 53019310
N-[[5-(4-cyanophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-4-methyl-N-phenylbenzamide
CID 53019262
N-[[5-(3-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019373
4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019244
N-[[5-(1,2-dimethylimidazol-4-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019338
N-[[5-(2,5-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019361
2-[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 53019060
4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019231
N-[(1-methyl-5-quinolin-8-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide
CID 53019358
5-(benzenesulfonyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832764
3-[(N-acetylanilino)methyl]-N-(4-bromophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834906
N-[[5-(2,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide
CID 53019318

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (CID 53019199) is N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccc(CC(C)C)cc1)CC2)c1ccccc1.
What is the InChIKey of N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The InChIKey is XNJUZTDZPPKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-19(2)16-21-10-12-23(13-11-21)34(32,33)29-15-14-26-24(17-29)25(27-28(26)4)18-30(20(3)31)22-8-6-5-7-9-22/h5-13,19H,14-18H2,1-4H3.
What are the key properties of N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide has a molecular weight of 480.63 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-[4-(2-methylpropyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 53019199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).