N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

C21H18F3N5 — CID 118664258

IUPACN-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H18F3N5/c1-13(25-2)16-5-3-6-17(27-16)14-9-10-15-12-26-29(18(15)11-14)20-8-4-7-19(28-20)21(22,23)24/h3-13,25H,1-2H3
InChIKeyMXYFJJACSFGQPI-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.78
Rot. Bonds4

About N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664258) has the molecular formula C21H18F3N5 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664258
Molecular FormulaC21H18F3N5
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC NameN-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C21H18F3N5/c1-13(25-2)16-5-3-6-17(27-16)14-9-10-15-12-26-29(18(15)11-14)20-8-4-7-19(28-20)21(22,23)24/h3-13,25H,1-2H3
InChIKeyMXYFJJACSFGQPI-UHFFFAOYSA-N
XLogP4.78
TPSA55.63 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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664258) is N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is CNC(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is MXYFJJACSFGQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5/c1-13(25-2)16-5-3-6-17(27-16)14-9-10-15-12-26-29(18(15)11-14)20-8-4-7-19(28-20)21(22,23)24/h3-13,25H,1-2H3.
What are the key properties of N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 397.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).