2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine

C22H18F3N5 — CID 118664288

IUPAC2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNC1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C22H18F3N5/c23-22(24,25)19-5-2-6-20(29-19)30-18-11-14(7-8-15(18)12-27-30)17-10-9-13-3-1-4-16(26)21(13)28-17/h2,5-12,16H,1,3-4,26H2
InChIKeyICHZCUXZVALKPU-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.84
Rot. Bonds2

About 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine

2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 118664288) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID118664288
Molecular FormulaC22H18F3N5
Molecular Weight409.42 g/mol
Exact Mass409.15
IUPAC Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNC1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C22H18F3N5/c23-22(24,25)19-5-2-6-20(29-19)30-18-11-14(7-8-15(18)12-27-30)17-10-9-13-3-1-4-16(26)21(13)28-17/h2,5-12,16H,1,3-4,26H2
InChIKeyICHZCUXZVALKPU-UHFFFAOYSA-N
XLogP4.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 118664288) is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine is NC1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is ICHZCUXZVALKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5/c23-22(24,25)19-5-2-6-20(29-19)30-18-11-14(7-8-15(18)12-27-30)17-10-9-13-3-1-4-16(26)21(13)28-17/h2,5-12,16H,1,3-4,26H2.
What are the key properties of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 409.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 118664288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).