N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

C22H21FN6O4S — CID 142818503

IUPACN-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2F)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C22H21FN6O4S/c1-13-6-8-18(28-34(32,33)19-5-3-2-4-16(19)23)22(31)29(13)12-20(30)25-11-14-7-9-17-15(10-14)21(24)27-26-17/h2-10,28H,11-12H2,1H3,(H,25,30)(H3,24,26,27)
InChIKeyUBUXPEBDESKSTQ-UHFFFAOYSA-N
MW484.51 g/mol
LogP1.87
Rot. Bonds7

About N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 142818503) has the molecular formula C22H21FN6O4S and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID142818503
Molecular FormulaC22H21FN6O4S
Molecular Weight484.51 g/mol
Exact Mass484.13
IUPAC NameN-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2F)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C22H21FN6O4S/c1-13-6-8-18(28-34(32,33)19-5-3-2-4-16(19)23)22(31)29(13)12-20(30)25-11-14-7-9-17-15(10-14)21(24)27-26-17/h2-10,28H,11-12H2,1H3,(H,25,30)(H3,24,26,27)
InChIKeyUBUXPEBDESKSTQ-UHFFFAOYSA-N
XLogP1.87
TPSA151.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-Indazol-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10139788
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 10203035
N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 23551908
N-[(3-Amino-1H-indazol-5-yl)methyl]-3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxo-1(2H)-pyrazineacetamide
CID 44330781
(E)-3-(3-amino-1H-indazol-5-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 44332620
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 44330803
3-amino-N-[(1R)-2-oxo-1-phenyl-2-[4-(2-sulfamoylphenyl)anilino]ethyl]-1H-indazole-5-carboxamide
CID 44331004
3-amino-N-[(1S)-2-oxo-1-phenyl-2-[4-(2-sulfamoylphenyl)anilino]ethyl]-1H-indazole-5-carboxamide
CID 44331189
N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 56678640
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 10227660
3-amino-N-[2-oxo-1-phenyl-2-[4-(2-sulfamoylphenyl)anilino]ethyl]-1H-indazole-5-carboxamide
CID 49823082
2-[[5-(difluoromethyl)-3-fluoro-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 164573816

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 142818503) is N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccccc2F)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1.
What is the InChIKey of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is UBUXPEBDESKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O4S/c1-13-6-8-18(28-34(32,33)19-5-3-2-4-16(19)23)22(31)29(13)12-20(30)25-11-14-7-9-17-15(10-14)21(24)27-26-17/h2-10,28H,11-12H2,1H3,(H,25,30)(H3,24,26,27).
What are the key properties of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 484.51 g/mol, XLogP of 1.87, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 142818503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).