1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

C21H18F3N5 — CID 118663986

IUPAC1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H18F3N5/c1-2-15(25)17-6-3-5-16(27-17)13-9-10-14-12-26-29(18(14)11-13)20-8-4-7-19(28-20)21(22,23)24/h3-12,15H,2,25H2,1H3
InChIKeyKNJVHNKGXXHYPJ-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.91
Rot. Bonds4

About 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (PubChem CID 118663986) has the molecular formula C21H18F3N5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
PubChem CID118663986
Molecular FormulaC21H18F3N5
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H18F3N5/c1-2-15(25)17-6-3-5-16(27-17)13-9-10-14-12-26-29(18(14)11-13)20-8-4-7-19(28-20)21(22,23)24/h3-12,15H,2,25H2,1H3
InChIKeyKNJVHNKGXXHYPJ-UHFFFAOYSA-N
XLogP4.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine 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 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (CID 118663986) is 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is CCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is KNJVHNKGXXHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5/c1-2-15(25)17-6-3-5-16(27-17)13-9-10-14-12-26-29(18(14)11-13)20-8-4-7-19(28-20)21(22,23)24/h3-12,15H,2,25H2,1H3.
What are the key properties of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 397.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 118663986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).