(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine

C20H15F4N5 — CID 171595344

IUPAC(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
SMILESN[C@@H](Cc1ncccc1F)c1ncccc1-n1nc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H15F4N5/c21-13-6-3-9-26-15(13)11-14(25)18-17(8-4-10-27-18)29-16-7-2-1-5-12(16)19(28-29)20(22,23)24/h1-10,14H,11,25H2/t14-/m0/s1
InChIKeyKRUFNLRDBURSAM-AWEZNQCLSA-N
MW401.37 g/mol
LogP4.22
Rot. Bonds4

About (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine

(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine (PubChem CID 171595344) has the molecular formula C20H15F4N5 and a molecular weight of 401.37 g/mol. Its IUPAC name is (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
PubChem CID171595344
Molecular FormulaC20H15F4N5
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
SMILESN[C@@H](Cc1ncccc1F)c1ncccc1-n1nc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H15F4N5/c21-13-6-3-9-26-15(13)11-14(25)18-17(8-4-10-27-18)29-16-7-2-1-5-12(16)19(28-29)20(22,23)24/h1-10,14H,11,25H2/t14-/m0/s1
InChIKeyKRUFNLRDBURSAM-AWEZNQCLSA-N
XLogP4.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile
CID 174161209
(1S)-1-[3-(5-fluoroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-isocyano-2-pyridinyl)ethanamine
CID 171595339
6-[(2S)-2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-3-fluoropyridine-2-carboxamide
CID 164915902
(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 171595341
2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
CID 63204105
(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 171595326
2-fluoro-5-[2-[2-(3-fluorophenyl)-1-[[2-[3-(trifluoromethyl)indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 78035714
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
1-hydroxy-3-(trifluoromethyl)indazole
CID 137437749
(1S)-1-chloro-2-(3-fluoro-2-pyridinyl)-1-[3-[5-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
CID 174236125
1-(3-fluoro-2-pyridinyl)-N-methylpropan-2-amine
CID 63199828
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine (CID 171595344) is (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine is N[C@@H](Cc1ncccc1F)c1ncccc1-n1nc(C(F)(F)F)c2ccccc21.
What is the InChIKey of (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine?
The InChIKey is KRUFNLRDBURSAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H15F4N5/c21-13-6-3-9-26-15(13)11-14(25)18-17(8-4-10-27-18)29-16-7-2-1-5-12(16)19(28-29)20(22,23)24/h1-10,14H,11,25H2/t14-/m0/s1.
What are the key properties of (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine?
(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine has a molecular weight of 401.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 171595344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).