N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H20F3N5O2 — CID 147861233

IUPACN-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCN(C)C)nc12
InChIInChI=1S/C19H20F3N5O2/c1-26(2)7-8-27-11-12-9-13(10-15(29-3)17(12)25-27)23-18(28)14-5-4-6-16(24-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,28)
InChIKeyHWTACRZTNLUBMX-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.27
Rot. Bonds6

About N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 147861233) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID147861233
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCN(C)C)nc12
InChIInChI=1S/C19H20F3N5O2/c1-26(2)7-8-27-11-12-9-13(10-15(29-3)17(12)25-27)23-18(28)14-5-4-6-16(24-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,28)
InChIKeyHWTACRZTNLUBMX-UHFFFAOYSA-N
XLogP3.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 147861233) is N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCN(C)C)nc12.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HWTACRZTNLUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-26(2)7-8-27-11-12-9-13(10-15(29-3)17(12)25-27)23-18(28)14-5-4-6-16(24-14)19(20,21)22/h4-6,9-11H,7-8H2,1-3H3,(H,23,28).
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 147861233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).