tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate

C24H32F3N5O6 — CID 171558016

IUPACtert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate
SMILESC[C@H]1O[C@H](c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C24H32F3N5O6/c1-13-18(33)19(34)21(37-17-7-5-6-16(28-17)24(25,26)27)20(36-13)15-12-32(30-29-15)14-8-10-31(11-9-14)22(35)38-23(2,3)4/h5-7,12-14,18-21,33-34H,8-11H2,1-4H3/t13-,18+,19+,20-,21-/m1/s1
InChIKeyRHOGRPHXNNTVCU-IQRXFYDRSA-N
MW543.54 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate (PubChem CID 171558016) has the molecular formula C24H32F3N5O6 and a molecular weight of 543.54 g/mol. Its IUPAC name is tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate
PubChem CID171558016
Molecular FormulaC24H32F3N5O6
Molecular Weight543.54 g/mol
Exact Mass543.23
IUPAC Nametert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate
SMILESC[C@H]1O[C@H](c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C24H32F3N5O6/c1-13-18(33)19(34)21(37-17-7-5-6-16(28-17)24(25,26)27)20(36-13)15-12-32(30-29-15)14-8-10-31(11-9-14)22(35)38-23(2,3)4/h5-7,12-14,18-21,33-34H,8-11H2,1-4H3/t13-,18+,19+,20-,21-/m1/s1
InChIKeyRHOGRPHXNNTVCU-IQRXFYDRSA-N
XLogP2.89
TPSA132.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 123253353
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-[4-(2-methylpyrazol-3-yl)pyridin-2-yl]oxypiperidine-1-carboxylate
CID 126502829
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-[6-(2-methylpyrazol-3-yl)pyridin-2-yl]oxypiperidine-1-carboxylate
CID 126502830
(6S)-6-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]-7-fluoroheptanoic acid
CID 132250428
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 135379754
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-[(2,2-difluorocyclopropyl)methyl]-N-methylcarbamate
CID 145423838
[5-[5-[(1S,3R)-3-fluorocyclohexyl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
CID 145423904
(6S)-6-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]-7-fluoroheptanoic acid
CID 146426442
(6S)-7-fluoro-6-[[6-[1-methyl-5-[[methyl-[(3-methylcyclobutyl)methyl]carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]heptanoic acid
CID 146579086
(1,1,1-Trifluoro-3-hydroxypropan-2-yl) 4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 155092066
(1,1,1-Trifluoro-3-hydroxypropan-2-yl) 4-[[4-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 155092079
tert-butyl (3S,4R)-4-[4-[6-[(Z)-2-aminoethenyl]-5-[2-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-pyridinyl]-5-methyltriazol-1-yl]-3-fluoropiperidine-1-carboxylate
CID 164920625

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate (CID 171558016) is tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate is C[C@H]1O[C@H](c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate?
The InChIKey is RHOGRPHXNNTVCU-IQRXFYDRSA-N. The full InChI is InChI=1S/C24H32F3N5O6/c1-13-18(33)19(34)21(37-17-7-5-6-16(28-17)24(25,26)27)20(36-13)15-12-32(30-29-15)14-8-10-31(11-9-14)22(35)38-23(2,3)4/h5-7,12-14,18-21,33-34H,8-11H2,1-4H3/t13-,18+,19+,20-,21-/m1/s1.
What are the key properties of tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate has a molecular weight of 543.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).