7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide

C19H20FN5O4S — CID 171771964

IUPAC7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c3cccc(F)c3nn2CC2CCCCO2)ccn1
InChIInChI=1S/C19H20FN5O4S/c20-15-6-3-5-14-17(15)24-25(11-13-4-1-2-9-29-13)18(14)19(26)23-12-7-8-22-16(10-12)30(21,27)28/h3,5-8,10,13H,1-2,4,9,11H2,(H2,21,27,28)(H,22,23,26)
InChIKeyZRKIYWBGMWLCGG-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.04
Rot. Bonds5

About 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide

7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide (PubChem CID 171771964) has the molecular formula C19H20FN5O4S and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide
PubChem CID171771964
Molecular FormulaC19H20FN5O4S
Molecular Weight433.47 g/mol
Exact Mass433.12
IUPAC Name7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c3cccc(F)c3nn2CC2CCCCO2)ccn1
InChIInChI=1S/C19H20FN5O4S/c20-15-6-3-5-14-17(15)24-25(11-13-4-1-2-9-29-13)18(14)19(26)23-12-7-8-22-16(10-12)30(21,27)28/h3,5-8,10,13H,1-2,4,9,11H2,(H2,21,27,28)(H,22,23,26)
InChIKeyZRKIYWBGMWLCGG-UHFFFAOYSA-N
XLogP2.04
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771986
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
CID 171772180
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
2-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-7-methylindazole-3-carboxamide
CID 171772045
3-methyl-N-[3-[methyl(dimethylidene)-λ6-sulfanyl]phenyl]-1-(oxetan-2-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528395
N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
CID 171771928
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
[7-bromo-2-(oxan-2-yl)indazol-3-yl]-(3,4,5-trifluorophenyl)methanone
CID 166101988
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334327
2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide
CID 171772068
4-fluoro-1-(oxan-2-ylmethyl)benzimidazol-2-amine
CID 55013966
N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 171772052

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide?
The IUPAC name of 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide (CID 171771964) is 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide?
The canonical SMILES for 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2c3cccc(F)c3nn2CC2CCCCO2)ccn1.
What is the InChIKey of 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide?
The InChIKey is ZRKIYWBGMWLCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4S/c20-15-6-3-5-14-17(15)24-25(11-13-4-1-2-9-29-13)18(14)19(26)23-12-7-8-22-16(10-12)30(21,27)28/h3,5-8,10,13H,1-2,4,9,11H2,(H2,21,27,28)(H,22,23,26).
What are the key properties of 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide?
7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(oxan-2-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)indazole-3-carboxamide is sourced from PubChem (CID 171771964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).