N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide

C22H24N4O2 — CID 24816890

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-6-17(7-5-15)26-20-13-22(2,3)12-19(18(20)14-23-26)24-21(27)16-8-10-25(28)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)
InChIKeyDVIUGNCLONDWSR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.26
Rot. Bonds3

About N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 24816890) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID24816890
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-6-17(7-5-15)26-20-13-22(2,3)12-19(18(20)14-23-26)24-21(27)16-8-10-25(28)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)
InChIKeyDVIUGNCLONDWSR-UHFFFAOYSA-N
XLogP3.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-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

(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
N-[4-[1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl(propyl)amino]butyl]-4-phenylbenzamide
CID 52937680
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
CID 53364357
N'-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}isonicotinohydrazide
CID 9583955
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
US10889564, Example 1
CID 24819270
US10889564, Example 3
CID 42216319
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
CID 42288156
2-(4-(pyridin-4-ylmethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226283

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide (CID 24816890) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2cc[n+]([O-])cc2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is DVIUGNCLONDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-4-6-17(7-5-15)26-20-13-22(2,3)12-19(18(20)14-23-26)24-21(27)16-8-10-25(28)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 24816890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).