3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide

C19H21FN6O6S — CID 164573859

IUPAC3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(F)c2c1
InChIInChI=1S/C19H21FN6O6S/c1-24-6-5-12(9-16(24)28)21-15(27)10-25(2)33(30,31)14-8-11(19(29)26(3)32-4)7-13-17(14)22-23-18(13)20/h5-9H,10H2,1-4H3,(H,21,27)(H,22,23)
InChIKeyDIRHCZRBNFJRRE-UHFFFAOYSA-N
MW480.48 g/mol
LogP0.29
Rot. Bonds7

About 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide

3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide (PubChem CID 164573859) has the molecular formula C19H21FN6O6S and a molecular weight of 480.48 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
PubChem CID164573859
Molecular FormulaC19H21FN6O6S
Molecular Weight480.48 g/mol
Exact Mass480.12
IUPAC Name3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(F)c2c1
InChIInChI=1S/C19H21FN6O6S/c1-24-6-5-12(9-16(24)28)21-15(27)10-25(2)33(30,31)14-8-11(19(29)26(3)32-4)7-13-17(14)22-23-18(13)20/h5-9H,10H2,1-4H3,(H,21,27)(H,22,23)
InChIKeyDIRHCZRBNFJRRE-UHFFFAOYSA-N
XLogP0.29
TPSA146.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide 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-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67454968
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022
N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457636
N-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]methyl]benzamide
CID 67462136
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide (CID 164573859) is 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide is CON(C)C(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(F)c2c1.
What is the InChIKey of 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide?
The InChIKey is DIRHCZRBNFJRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O6S/c1-24-6-5-12(9-16(24)28)21-15(27)10-25(2)33(30,31)14-8-11(19(29)26(3)32-4)7-13-17(14)22-23-18(13)20/h5-9H,10H2,1-4H3,(H,21,27)(H,22,23).
What are the key properties of 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide?
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 164573859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).