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

C22H18F3N7O2 — CID 89450771

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1
InChIInChI=1S/C22H18F3N7O2/c1-32(2)21(34)29-15-7-13(9-26-10-15)12-3-5-17-16(8-12)19(31-30-17)20(33)28-14-4-6-18(27-11-14)22(23,24)25/h3-11H,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyXKUDGJAKWFELKF-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.38
Rot. Bonds4

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

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450771) has the molecular formula C22H18F3N7O2 and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450771
Molecular FormulaC22H18F3N7O2
Molecular Weight469.43 g/mol
Exact Mass469.15
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1
InChIInChI=1S/C22H18F3N7O2/c1-32(2)21(34)29-15-7-13(9-26-10-15)12-3-5-17-16(8-12)19(31-30-17)20(33)28-14-4-6-18(27-11-14)22(23,24)25/h3-11H,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyXKUDGJAKWFELKF-UHFFFAOYSA-N
XLogP4.38
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450771) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c3c2)c1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is XKUDGJAKWFELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O2/c1-32(2)21(34)29-15-7-13(9-26-10-15)12-3-5-17-16(8-12)19(31-30-17)20(33)28-14-4-6-18(27-11-14)22(23,24)25/h3-11H,1-2H3,(H,28,33)(H,29,34)(H,30,31).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).