2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide

C24H24FN5O4S2 — CID 155784217

IUPAC2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cc4[nH]ncc4c(SCC4CNCCO4)n3)cc2)c1
InChIInChI=1S/C24H24FN5O4S2/c1-33-17-6-7-20(25)23(10-17)36(31,32)30-16-4-2-15(3-5-16)21-11-22-19(13-27-29-22)24(28-21)35-14-18-12-26-8-9-34-18/h2-7,10-11,13,18,26,30H,8-9,12,14H2,1H3,(H,27,29)
InChIKeyZQSCUUPFYHKAKM-UHFFFAOYSA-N
MW529.62 g/mol
LogP3.65
Rot. Bonds8

About 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide

2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 155784217) has the molecular formula C24H24FN5O4S2 and a molecular weight of 529.62 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID155784217
Molecular FormulaC24H24FN5O4S2
Molecular Weight529.62 g/mol
Exact Mass529.13
IUPAC Name2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cc4[nH]ncc4c(SCC4CNCCO4)n3)cc2)c1
InChIInChI=1S/C24H24FN5O4S2/c1-33-17-6-7-20(25)23(10-17)36(31,32)30-16-4-2-15(3-5-16)21-11-22-19(13-27-29-22)24(28-21)35-14-18-12-26-8-9-34-18/h2-7,10-11,13,18,26,30H,8-9,12,14H2,1H3,(H,27,29)
InChIKeyZQSCUUPFYHKAKM-UHFFFAOYSA-N
XLogP3.65
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 118720602
N-[4-[3-amino-4-(oxolan-3-yloxy)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenyl]-2-fluoro-5-methoxybenzenesulfonamide
CID 155784196
N-[4-(3-amino-4-methoxy-2H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-2-fluoro-5-methoxybenzenesulfonamide
CID 134599422
N-[4-(3-amino-4-ethoxy-2H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-2-fluoro-5-methoxybenzenesulfonamide
CID 134599565
4-fluoro-3-[hydroxy-methyl-[4-[4-[2-[(2R)-morpholin-2-yl]ethyl]-1H-indazol-6-yl]anilino]-oxo-λ6-sulfanyl]phenol
CID 142371062
N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
CID 134589497
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-[1-(4-methoxyphenyl)propyl]-2-morpholin-2-ylacetamide
CID 66433782
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide (CID 155784217) is 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide is COc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cc4[nH]ncc4c(SCC4CNCCO4)n3)cc2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is ZQSCUUPFYHKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4S2/c1-33-17-6-7-20(25)23(10-17)36(31,32)30-16-4-2-15(3-5-16)21-11-22-19(13-27-29-22)24(28-21)35-14-18-12-26-8-9-34-18/h2-7,10-11,13,18,26,30H,8-9,12,14H2,1H3,(H,27,29).
What are the key properties of 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 529.62 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 155784217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).