(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine

C48H60F2N10O4 — CID 158757594

IUPAC(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILES[2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.[2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/2C24H30FN5O2/c2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17-,18+;14-,17-,18-/m11/s1/i2*1D3
InChIKeyIOGNCJGDJZBZJS-QYEQSFMKSA-N
MW885.11 g/mol
LogP8.17
Rot. Bonds10

About (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine

(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine (PubChem CID 158757594) has the molecular formula C48H60F2N10O4 and a molecular weight of 885.11 g/mol. Its IUPAC name is (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
PubChem CID158757594
Molecular FormulaC48H60F2N10O4
Molecular Weight885.11 g/mol
Exact Mass884.51
IUPAC Name(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILES[2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.[2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/2C24H30FN5O2/c2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17-,18+;14-,17-,18-/m11/s1/i2*1D3
InChIKeyIOGNCJGDJZBZJS-QYEQSFMKSA-N
XLogP8.17
TPSA152.62 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.11
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine (CID 158757594) is (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine is [2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.[2H]C([2H])([2H])c1cc(F)c2nc(N3CC[C@@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is IOGNCJGDJZBZJS-QYEQSFMKSA-N. The full InChI is InChI=1S/2C24H30FN5O2/c2*1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h2*9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17-,18+;14-,17-,18-/m11/s1/i2*1D3.
What are the key properties of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 885.11 g/mol, XLogP of 8.17, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 158757594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).