2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide

C26H23FN6O3S — CID 121272699

IUPAC2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide
SMILESCn1nccc1-c1cc2cc(F)ccc2n1CC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C26H23FN6O3S/c1-32-24(10-11-31-32)25-13-19-12-20(27)5-9-23(19)33(25)16-26(34)30-15-21-6-2-18(14-29-21)17-3-7-22(8-4-17)37(28,35)36/h2-14H,15-16H2,1H3,(H,30,34)(H2,28,35,36)
InChIKeyJKVSJQVEQQZNIW-UHFFFAOYSA-N
MW518.57 g/mol
LogP3.21
Rot. Bonds7

About 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide

2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide (PubChem CID 121272699) has the molecular formula C26H23FN6O3S and a molecular weight of 518.57 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide
PubChem CID121272699
Molecular FormulaC26H23FN6O3S
Molecular Weight518.57 g/mol
Exact Mass518.15
IUPAC Name2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide
SMILESCn1nccc1-c1cc2cc(F)ccc2n1CC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C26H23FN6O3S/c1-32-24(10-11-31-32)25-13-19-12-20(27)5-9-23(19)33(25)16-26(34)30-15-21-6-2-18(14-29-21)17-3-7-22(8-4-17)37(28,35)36/h2-14H,15-16H2,1H3,(H,30,34)(H2,28,35,36)
InChIKeyJKVSJQVEQQZNIW-UHFFFAOYSA-N
XLogP3.21
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Domatinostat
CID 15985904
2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)-N-[[5-[4-(methylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]acetamide
CID 121272674
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16049465
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
2-(5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxidobenzo[d]isothiazol-2(3H)-yl)acetamide
CID 122529456
(R)-1-(3-(3-(4-((3-fluorophenyl)thio)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 139465220
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 147837559
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)ethanesulfonamide
CID 148928582
N-[[5-[4-(methylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-(5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10,12,14-hexaen-16-yl)acetamide
CID 155560443
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2572756

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide (CID 121272699) is 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide is Cn1nccc1-c1cc2cc(F)ccc2n1CC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is JKVSJQVEQQZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3S/c1-32-24(10-11-31-32)25-13-19-12-20(27)5-9-23(19)33(25)16-26(34)30-15-21-6-2-18(14-29-21)17-3-7-22(8-4-17)37(28,35)36/h2-14H,15-16H2,1H3,(H,30,34)(H2,28,35,36).
What are the key properties of 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide?
2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 518.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2-methylpyrazol-3-yl)indol-1-yl]-N-[[5-(4-sulfamoylphenyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121272699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).