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

C21H17F3N4 — CID 118663715

IUPAC1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C21H17F3N4/c1-13(25)14-4-2-5-15(10-14)16-8-9-17-12-26-28(18(17)11-16)20-7-3-6-19(27-20)21(22,23)24/h2-13H,25H2,1H3
InChIKeyKASVSZWZGFRISC-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.13
Rot. Bonds3

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

1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine (PubChem CID 118663715) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine
PubChem CID118663715
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C21H17F3N4/c1-13(25)14-4-2-5-15(10-14)16-8-9-17-12-26-28(18(17)11-16)20-7-3-6-19(27-20)21(22,23)24/h2-13H,25H2,1H3
InChIKeyKASVSZWZGFRISC-UHFFFAOYSA-N
XLogP5.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine?
The IUPAC name of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine (CID 118663715) is 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine?
The canonical SMILES for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine is CC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine?
The InChIKey is KASVSZWZGFRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c1-13(25)14-4-2-5-15(10-14)16-8-9-17-12-26-28(18(17)11-16)20-7-3-6-19(27-20)21(22,23)24/h2-13H,25H2,1H3.
What are the key properties of 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine?
1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine has a molecular weight of 382.39 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanamine is sourced from PubChem (CID 118663715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).