5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol

C24H24ClF3N4O2 — CID 123440143

IUPAC5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C24H24ClF3N4O2/c1-13(19-8-17(25)3-4-20(19)24(26,27)28)34-22-7-15(11-32-23(22)29)14-2-5-21(31-10-14)16-6-18(33)12-30-9-16/h2-5,7-8,10-11,13,16,18,30,33H,6,9,12H2,1H3,(H2,29,32)
InChIKeyARFXAGLFFDIBCY-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.98
Rot. Bonds5

About 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol

5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 123440143) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
PubChem CID123440143
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC Name5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C24H24ClF3N4O2/c1-13(19-8-17(25)3-4-20(19)24(26,27)28)34-22-7-15(11-32-23(22)29)14-2-5-21(31-10-14)16-6-18(33)12-30-9-16/h2-5,7-8,10-11,13,16,18,30,33H,6,9,12H2,1H3,(H2,29,32)
InChIKeyARFXAGLFFDIBCY-UHFFFAOYSA-N
XLogP4.98
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol with MolForge

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Related Compounds

N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
CID 146241215
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 58688109
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 146185145
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 146185174
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 146185193
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine
CID 156012953
5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
CID 71086604
5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyridin-2-amine
CID 71105463
(R)-5-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5'-methoxy-1'',2'',3'',6''-tetrahydro-[3,3':6',4''-terpyridin]-6-amine
CID 78320601
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78320603
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78320924
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78320926

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol (CID 123440143) is 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol is CC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is ARFXAGLFFDIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-13(19-8-17(25)3-4-20(19)24(26,27)28)34-22-7-15(11-32-23(22)29)14-2-5-21(31-10-14)16-6-18(33)12-30-9-16/h2-5,7-8,10-11,13,16,18,30,33H,6,9,12H2,1H3,(H2,29,32).
What are the key properties of 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 492.93 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 123440143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).