2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C17H16F3N5O4S — CID 164573816

IUPAC2-[[5-(difluoromethyl)-3-fluoro-2H-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)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16F3N5O4S/c1-24-4-3-10(7-14(24)27)21-13(26)8-25(2)30(28,29)12-6-9(16(18)19)5-11-15(12)22-23-17(11)20/h3-7,16H,8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyCYLAQAYTLYMQDT-UHFFFAOYSA-N
MW443.41 g/mol
LogP1.60
Rot. Bonds6

About 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573816) has the molecular formula C17H16F3N5O4S and a molecular weight of 443.41 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573816
Molecular FormulaC17H16F3N5O4S
Molecular Weight443.41 g/mol
Exact Mass443.09
IUPAC Name2-[[5-(difluoromethyl)-3-fluoro-2H-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)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16F3N5O4S/c1-24-4-3-10(7-14(24)27)21-13(26)8-25(2)30(28,29)12-6-9(16(18)19)5-11-15(12)22-23-17(11)20/h3-7,16H,8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyCYLAQAYTLYMQDT-UHFFFAOYSA-N
XLogP1.60
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395588
US20240132480, Example 101
CID 171902335
US20240132480, Example 150
CID 171902353
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-[(2-fluorophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 142818503
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573558
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]amino]sulfanyl-2H-indazole-5-carboxamide
CID 164573610

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573816) is 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(difluoromethyl)-3-fluoro-2H-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)cc2c(F)[nH]nc12.
What is the InChIKey of 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is CYLAQAYTLYMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O4S/c1-24-4-3-10(7-14(24)27)21-13(26)8-25(2)30(28,29)12-6-9(16(18)19)5-11-15(12)22-23-17(11)20/h3-7,16H,8H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 443.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-3-fluoro-2H-indazol-7-yl]sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).