2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C17H17F2N5O4S — CID 171395588

IUPAC2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12
InChIInChI=1S/C17H17F2N5O4S/c1-23-4-3-12(7-15(23)26)21-14(25)9-24(2)29(27,28)13-6-10(17(18)19)5-11-8-20-22-16(11)13/h3-8,17H,9H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyXUXFSICCVIEHLQ-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.46
Rot. Bonds6

About 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 171395588) has the molecular formula C17H17F2N5O4S and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID171395588
Molecular FormulaC17H17F2N5O4S
Molecular Weight425.42 g/mol
Exact Mass425.10
IUPAC Name2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12
InChIInChI=1S/C17H17F2N5O4S/c1-23-4-3-12(7-15(23)26)21-14(25)9-24(2)29(27,28)13-6-10(17(18)19)5-11-8-20-22-16(11)13/h3-8,17H,9H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyXUXFSICCVIEHLQ-UHFFFAOYSA-N
XLogP1.46
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
2-[6-Methyl-2-oxo-3-(3-trifluoromethyl-phenylmethanesulfonylamino)-2H-pyridin-1-yl]-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 44339650
N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
CID 155387744
US20240132480, Example 43
CID 164573492
US20240132480, Example 152
CID 164573518
(2S)-1-[(3-fluoro-5-formyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridyl)azetidine-2-carboxamide
CID 164573676
2-[[5-(difluoromethyl)-3-fluoro-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 164573816
2-[(5-fluoro-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395535
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395558
US20240132480, Example 101
CID 171902335
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(3-methyl-4-morpholino-phenyl)acetamide
CID 171395416
N-(3-fluoro-4-morpholino-phenyl)-2-[methyl-[(5-methyl-2H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171395441

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 171395588) is 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is CN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12.
What is the InChIKey of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is XUXFSICCVIEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O4S/c1-23-4-3-12(7-15(23)26)21-14(25)9-24(2)29(27,28)13-6-10(17(18)19)5-11-8-20-22-16(11)13/h3-8,17H,9H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 425.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 171395588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).