N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide

C24H23FN6O4S — CID 71538116

IUPACN-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(NC(=O)C5CCOCC5)n[nH]c4n3)cc2)c1
InChIInChI=1S/C24H23FN6O4S/c1-14-2-7-18(25)20(12-14)36(33,34)31-17-5-3-15(4-6-17)19-13-26-21-22(27-19)29-30-23(21)28-24(32)16-8-10-35-11-9-16/h2-7,12-13,16,31H,8-11H2,1H3,(H2,27,28,29,30,32)
InChIKeySLHRICLGCCWIAQ-UHFFFAOYSA-N
MW510.55 g/mol
LogP3.63
Rot. Bonds6

About N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide

N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide (PubChem CID 71538116) has the molecular formula C24H23FN6O4S and a molecular weight of 510.55 g/mol. Its IUPAC name is N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide
PubChem CID71538116
Molecular FormulaC24H23FN6O4S
Molecular Weight510.55 g/mol
Exact Mass510.15
IUPAC NameN-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(NC(=O)C5CCOCC5)n[nH]c4n3)cc2)c1
InChIInChI=1S/C24H23FN6O4S/c1-14-2-7-18(25)20(12-14)36(33,34)31-17-5-3-15(4-6-17)19-13-26-21-22(27-19)29-30-23(21)28-24(32)16-8-10-35-11-9-16/h2-7,12-13,16,31H,8-11H2,1H3,(H2,27,28,29,30,32)
InChIKeySLHRICLGCCWIAQ-UHFFFAOYSA-N
XLogP3.63
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dichloro-N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide
CID 71538390
5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
1-[6-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-(oxan-4-ylmethyl)urea
CID 90421384
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide
CID 122284723
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
2-cyano-N-[4-(3-ethyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-methylbenzenesulfonamide
CID 89464727
2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62945149
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971965
2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906523
N-[4-[3-amino-4-(oxolan-3-yloxy)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]-2-fluoro-5-methoxybenzenesulfonamide
CID 155784196

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide (CID 71538116) is N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(NC(=O)C5CCOCC5)n[nH]c4n3)cc2)c1.
What is the InChIKey of N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide?
The InChIKey is SLHRICLGCCWIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4S/c1-14-2-7-18(25)20(12-14)36(33,34)31-17-5-3-15(4-6-17)19-13-26-21-22(27-19)29-30-23(21)28-24(32)16-8-10-35-11-9-16/h2-7,12-13,16,31H,8-11H2,1H3,(H2,27,28,29,30,32).
What are the key properties of N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide?
N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 71538116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).