1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine

C20H16F3N5 — CID 118664022

IUPAC1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H16F3N5/c1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)19-4-2-3-18(27-19)20(21,22)23/h2-12H,24H2,1H3
InChIKeyPKKLLDIFJNLYIV-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.52
Rot. Bonds3

About 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine

1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine (PubChem CID 118664022) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
PubChem CID118664022
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H16F3N5/c1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)19-4-2-3-18(27-19)20(21,22)23/h2-12H,24H2,1H3
InChIKeyPKKLLDIFJNLYIV-UHFFFAOYSA-N
XLogP4.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The IUPAC name of 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine (CID 118664022) is 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine is CC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The InChIKey is PKKLLDIFJNLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)19-4-2-3-18(27-19)20(21,22)23/h2-12H,24H2,1H3.
What are the key properties of 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine has a molecular weight of 383.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 118664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).