N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide

C26H26N6O2S — CID 146607146

IUPACN-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c2c(nn1-c1ccc(C#N)cn1)CC(CCc1cccc(C3CC3)c1)NC2=O
InChIInChI=1S/C26H26N6O2S/c1-35-15-23(33)30-25-24-21(31-32(25)22-10-6-17(13-27)14-28-22)12-20(29-26(24)34)9-5-16-3-2-4-19(11-16)18-7-8-18/h2-4,6,10-11,14,18,20H,5,7-9,12,15H2,1H3,(H,29,34)(H,30,33)
InChIKeyAVKGTQNFHLGXEO-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide

N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide (PubChem CID 146607146) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
PubChem CID146607146
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c2c(nn1-c1ccc(C#N)cn1)CC(CCc1cccc(C3CC3)c1)NC2=O
InChIInChI=1S/C26H26N6O2S/c1-35-15-23(33)30-25-24-21(31-32(25)22-10-6-17(13-27)14-28-22)12-20(29-26(24)34)9-5-16-3-2-4-19(11-16)18-7-8-18/h2-4,6,10-11,14,18,20H,5,7-9,12,15H2,1H3,(H,29,34)(H,30,33)
InChIKeyAVKGTQNFHLGXEO-UHFFFAOYSA-N
XLogP3.61
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide 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-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide (CID 146607146) is N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)Nc1c2c(nn1-c1ccc(C#N)cn1)CC(CCc1cccc(C3CC3)c1)NC2=O.
What is the InChIKey of N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is AVKGTQNFHLGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-35-15-23(33)30-25-24-21(31-32(25)22-10-6-17(13-27)14-28-22)12-20(29-26(24)34)9-5-16-3-2-4-19(11-16)18-7-8-18/h2-4,6,10-11,14,18,20H,5,7-9,12,15H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 486.60 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyano-2-pyridinyl)-6-[2-(3-cyclopropylphenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 146607146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).