N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide

C26H32F4N4O4S — CID 146607185

IUPACN-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c2c(nn1CCCOC(F)F)CC(CCc1cccc(OCC3CC(F)(F)C3)c1)NC2=O
InChIInChI=1S/C26H32F4N4O4S/c1-39-15-21(35)32-23-22-20(33-34(23)8-3-9-37-25(27)28)11-18(31-24(22)36)7-6-16-4-2-5-19(10-16)38-14-17-12-26(29,30)13-17/h2,4-5,10,17-18,25H,3,6-9,11-15H2,1H3,(H,31,36)(H,32,35)
InChIKeyIJPULWNIMKAVOE-UHFFFAOYSA-N
MW572.63 g/mol
LogP4.53
Rot. Bonds14

About N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide

N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide (PubChem CID 146607185) has the molecular formula C26H32F4N4O4S and a molecular weight of 572.63 g/mol. Its IUPAC name is N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
PubChem CID146607185
Molecular FormulaC26H32F4N4O4S
Molecular Weight572.63 g/mol
Exact Mass572.21
IUPAC NameN-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c2c(nn1CCCOC(F)F)CC(CCc1cccc(OCC3CC(F)(F)C3)c1)NC2=O
InChIInChI=1S/C26H32F4N4O4S/c1-39-15-21(35)32-23-22-20(33-34(23)8-3-9-37-25(27)28)11-18(31-24(22)36)7-6-16-4-2-5-19(10-16)38-14-17-12-26(29,30)13-17/h2,4-5,10,17-18,25H,3,6-9,11-15H2,1H3,(H,31,36)(H,32,35)
InChIKeyIJPULWNIMKAVOE-UHFFFAOYSA-N
XLogP4.53
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.63
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-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-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide (CID 146607185) is N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)Nc1c2c(nn1CCCOC(F)F)CC(CCc1cccc(OCC3CC(F)(F)C3)c1)NC2=O.
What is the InChIKey of N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is IJPULWNIMKAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4O4S/c1-39-15-21(35)32-23-22-20(33-34(23)8-3-9-37-25(27)28)11-18(31-24(22)36)7-6-16-4-2-5-19(10-16)38-14-17-12-26(29,30)13-17/h2,4-5,10,17-18,25H,3,6-9,11-15H2,1H3,(H,31,36)(H,32,35).
What are the key properties of N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide?
N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 572.63 g/mol, XLogP of 4.53, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[3-[(3,3-difluorocyclobutyl)methoxy]phenyl]ethyl]-2-[3-(difluoromethoxy)propyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 146607185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).