5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C22H19F3N6O — CID 89450413

IUPAC5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1
InChIInChI=1S/C22H19F3N6O/c1-31(2)12-13-7-15(10-26-9-13)14-3-5-18-17(8-14)20(30-29-18)21(32)28-16-4-6-19(27-11-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyGWSUGDGOLCGDFF-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.35
Rot. Bonds5

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450413) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450413
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1
InChIInChI=1S/C22H19F3N6O/c1-31(2)12-13-7-15(10-26-9-13)14-3-5-18-17(8-14)20(30-29-18)21(32)28-16-4-6-19(27-11-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyGWSUGDGOLCGDFF-UHFFFAOYSA-N
XLogP4.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555414
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451008
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 147387455
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450996
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451266
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458795
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450537
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159662967
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450914
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450413) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1.
What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is GWSUGDGOLCGDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-31(2)12-13-7-15(10-26-9-13)14-3-5-18-17(8-14)20(30-29-18)21(32)28-16-4-6-19(27-11-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).