N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

C19H20N4O3S — CID 155566480

IUPACN-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCN(c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1)S(C)(=O)=O
InChIInChI=1S/C19H20N4O3S/c1-23(27(2,25)26)15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(24)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,21,22,24)
InChIKeyXMMNMFOLOBSNMO-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.97
Rot. Bonds5

About N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 155566480) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID155566480
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCN(c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1)S(C)(=O)=O
InChIInChI=1S/C19H20N4O3S/c1-23(27(2,25)26)15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(24)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,21,22,24)
InChIKeyXMMNMFOLOBSNMO-UHFFFAOYSA-N
XLogP2.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-(6-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 10286967
N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 10214741
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 155566480) is N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CN(c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1)S(C)(=O)=O.
What is the InChIKey of N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is XMMNMFOLOBSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23(27(2,25)26)15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(24)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155566480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).