methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate

C23H24FN5O5 — CID 118142523

IUPACmethyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-n2nccn2)C1
InChIInChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-12-15(24)5-7-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
InChIKeyWHXPCGWTGLWJAC-GDBMZVCRSA-N
MW469.47 g/mol
LogP2.67
Rot. Bonds6

About methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate

methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate (PubChem CID 118142523) has the molecular formula C23H24FN5O5 and a molecular weight of 469.47 g/mol. Its IUPAC name is methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate
PubChem CID118142523
Molecular FormulaC23H24FN5O5
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Namemethyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-n2nccn2)C1
InChIInChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-12-15(24)5-7-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
InChIKeyWHXPCGWTGLWJAC-GDBMZVCRSA-N
XLogP2.67
TPSA108.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 118142221
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 25125173
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920
[5-[(3-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(1-methyltriazol-1-ium-2-yl)phenyl]methanone
CID 123562525
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[(2R,5R)-5-(7-bromoisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212243
2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate (CID 118142523) is methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate is COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-n2nccn2)C1.
What is the InChIKey of methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate?
The InChIKey is WHXPCGWTGLWJAC-GDBMZVCRSA-N. The full InChI is InChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-12-15(24)5-7-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate?
methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate has a molecular weight of 469.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 118142523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).