N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide

C26H27F2N5O4S — CID 147649965

IUPACN-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide
SMILESCCC(=O)c1n[nH]c2cc(-c3cc(F)c(O)cc3CC)nc(NCc3cc(F)ccc3N(C)S(C)(=O)=O)c12
InChIInChI=1S/C26H27F2N5O4S/c1-5-14-10-23(35)18(28)11-17(14)19-12-20-24(25(32-31-20)22(34)6-2)26(30-19)29-13-15-9-16(27)7-8-21(15)33(3)38(4,36)37/h7-12,35H,5-6,13H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyGJHMNXOPYNAMMJ-UHFFFAOYSA-N
MW543.60 g/mol
LogP4.77
Rot. Bonds9

About N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide

N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide (PubChem CID 147649965) has the molecular formula C26H27F2N5O4S and a molecular weight of 543.60 g/mol. Its IUPAC name is N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide
PubChem CID147649965
Molecular FormulaC26H27F2N5O4S
Molecular Weight543.60 g/mol
Exact Mass543.18
IUPAC NameN-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide
SMILESCCC(=O)c1n[nH]c2cc(-c3cc(F)c(O)cc3CC)nc(NCc3cc(F)ccc3N(C)S(C)(=O)=O)c12
InChIInChI=1S/C26H27F2N5O4S/c1-5-14-10-23(35)18(28)11-17(14)19-12-20-24(25(32-31-20)22(34)6-2)26(30-19)29-13-15-9-16(27)7-8-21(15)33(3)38(4,36)37/h7-12,35H,5-6,13H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyGJHMNXOPYNAMMJ-UHFFFAOYSA-N
XLogP4.77
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
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CID 118512544
1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea
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[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
CID 117382497
N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810288
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113093094
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
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N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971871
N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
CID 171399333
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide (CID 147649965) is N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide is CCC(=O)c1n[nH]c2cc(-c3cc(F)c(O)cc3CC)nc(NCc3cc(F)ccc3N(C)S(C)(=O)=O)c12.
What is the InChIKey of N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide?
The InChIKey is GJHMNXOPYNAMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O4S/c1-5-14-10-23(35)18(28)11-17(14)19-12-20-24(25(32-31-20)22(34)6-2)26(30-19)29-13-15-9-16(27)7-8-21(15)33(3)38(4,36)37/h7-12,35H,5-6,13H2,1-4H3,(H,29,30)(H,31,32).
What are the key properties of N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide?
N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide has a molecular weight of 543.60 g/mol, XLogP of 4.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-3-propanoyl-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-4-fluorophenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 147649965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).