6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C23H21F3N6O — CID 118663682

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCC(N)c1cccc(-c2cc(C(=O)N(C)C)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H21F3N6O/c1-13(27)17-6-4-7-18(29-17)14-10-15(22(33)31(2)3)16-12-28-32(19(16)11-14)21-9-5-8-20(30-21)23(24,25)26/h4-13H,27H2,1-3H3
InChIKeyCYOTXGSLFNXJJU-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.22
Rot. Bonds4

About 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 118663682) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID118663682
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCC(N)c1cccc(-c2cc(C(=O)N(C)C)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H21F3N6O/c1-13(27)17-6-4-7-18(29-17)14-10-15(22(33)31(2)3)16-12-28-32(19(16)11-14)21-9-5-8-20(30-21)23(24,25)26/h4-13H,27H2,1-3H3
InChIKeyCYOTXGSLFNXJJU-UHFFFAOYSA-N
XLogP4.22
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-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

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 118663682) is 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is CC(N)c1cccc(-c2cc(C(=O)N(C)C)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is CYOTXGSLFNXJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-13(27)17-6-4-7-18(29-17)14-10-15(22(33)31(2)3)16-12-28-32(19(16)11-14)21-9-5-8-20(30-21)23(24,25)26/h4-13H,27H2,1-3H3.
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 118663682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).