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

C19H26N4O3S — CID 53019175

IUPACN-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide
SMILESCCCS(=O)(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1
InChIInChI=1S/C19H26N4O3S/c1-4-12-27(25,26)22-11-10-19-17(13-22)18(20-21(19)3)14-23(15(2)24)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3
InChIKeyVQNUTGYGFSEFMD-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.07
Rot. Bonds6

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

N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide (PubChem CID 53019175) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide
PubChem CID53019175
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide
SMILESCCCS(=O)(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1
InChIInChI=1S/C19H26N4O3S/c1-4-12-27(25,26)22-11-10-19-17(13-22)18(20-21(19)3)14-23(15(2)24)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3
InChIKeyVQNUTGYGFSEFMD-UHFFFAOYSA-N
XLogP2.07
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide?
The IUPAC name of N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide (CID 53019175) is N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide is CCCS(=O)(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1.
What is the InChIKey of N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide?
The InChIKey is VQNUTGYGFSEFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-12-27(25,26)22-11-10-19-17(13-22)18(20-21(19)3)14-23(15(2)24)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3.
What are the key properties of N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide?
N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylacetamide is sourced from PubChem (CID 53019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).