N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide

C24H25FN6O4S — CID 168945293

IUPACN-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(NC(C)=O)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H25FN6O4S/c1-4-36(33,34)30-18-10-7-16(11-20(18)35-13-15-5-8-17(25)9-6-15)22-21-23(31(3)29-22)19(28-14(2)32)12-27-24(21)26/h5-12,30H,4,13H2,1-3H3,(H2,26,27)(H,28,32)
InChIKeyFLISVORPCYPQEJ-UHFFFAOYSA-N
MW512.57 g/mol
LogP3.66
Rot. Bonds8

About N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide

N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide (PubChem CID 168945293) has the molecular formula C24H25FN6O4S and a molecular weight of 512.57 g/mol. Its IUPAC name is N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide
PubChem CID168945293
Molecular FormulaC24H25FN6O4S
Molecular Weight512.57 g/mol
Exact Mass512.16
IUPAC NameN-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(NC(C)=O)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H25FN6O4S/c1-4-36(33,34)30-18-10-7-16(11-20(18)35-13-15-5-8-17(25)9-6-15)22-21-23(31(3)29-22)19(28-14(2)32)12-27-24(21)26/h5-12,30H,4,13H2,1-3H3,(H2,26,27)(H,28,32)
InChIKeyFLISVORPCYPQEJ-UHFFFAOYSA-N
XLogP3.66
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(difluoromethylsulfanylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1,7-dimethylpyrazolo[4,5-c]pyridin-4-amine
CID 168945147
N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 168946493
5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 166905167
N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175682956
N-[4-[4-amino-7-(6-methoxy-3-pyridinyl)-1-methylpyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 168946087
N-[4-[4-amino-7-(3,6-dihydro-2H-pyran-4-yl)-1-methylpyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-2,2,2-trifluoroethanesulfonamide
CID 176509451
N-[4-(4-amino-1-methyl-7-pyridin-4-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175682952
N-[4-[4-amino-7-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175682986
N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175683007
2-[2-[3-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]prop-2-ynoxy]ethoxy]acetic acid
CID 168946510
N-[4-[4-amino-1-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(1R)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175682997
N-[4-[4-amino-1-methyl-7-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 168946093

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide?
The IUPAC name of N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide (CID 168945293) is N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide?
The canonical SMILES for N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide is CCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(NC(C)=O)cnc(N)c23)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide?
The InChIKey is FLISVORPCYPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4S/c1-4-36(33,34)30-18-10-7-16(11-20(18)35-13-15-5-8-17(25)9-6-15)22-21-23(31(3)29-22)19(28-14(2)32)12-27-24(21)26/h5-12,30H,4,13H2,1-3H3,(H2,26,27)(H,28,32).
What are the key properties of N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide?
N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide has a molecular weight of 512.57 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide is sourced from PubChem (CID 168945293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).