1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

C20H15F4N5 — CID 118664248

IUPAC1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H15F4N5/c1-11(25)15-4-2-5-16(27-15)12-8-14(21)13-10-26-29(17(13)9-12)19-7-3-6-18(28-19)20(22,23)24/h2-11H,25H2,1H3
InChIKeyQCHPDZGATOALSW-UHFFFAOYSA-N
MW401.37 g/mol
LogP4.66
Rot. Bonds3

About 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664248) has the molecular formula C20H15F4N5 and a molecular weight of 401.37 g/mol. Its IUPAC name is 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664248
Molecular FormulaC20H15F4N5
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H15F4N5/c1-11(25)15-4-2-5-16(27-15)12-8-14(21)13-10-26-29(17(13)9-12)19-7-3-6-18(28-19)20(22,23)24/h2-11H,25H2,1H3
InChIKeyQCHPDZGATOALSW-UHFFFAOYSA-N
XLogP4.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Decoglurant
CID 71533696
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Pyrazolo[1,5-b]pyridazine deriv. 58
CID 6539400
Pyrazolo[1,5-b]pyridazine deriv. 64
CID 6539406
Pyrazolo[1,5-b]pyridazine deriv. 99
CID 6539441
GW779439X
CID 10173796
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
CID 156022479
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664248) is 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is CC(N)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is QCHPDZGATOALSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5/c1-11(25)15-4-2-5-16(27-15)12-8-14(21)13-10-26-29(17(13)9-12)19-7-3-6-18(28-19)20(22,23)24/h2-11H,25H2,1H3.
What are the key properties of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 401.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).