[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone

C24H28N4O3 — CID 118920904

IUPAC[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(C(C)(C)O)ccn2)CC1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H28N4O3/c1-16-8-9-18(31-22-14-17(10-11-25-22)24(2,3)30)15-20(16)23(29)19-6-4-5-7-21(19)28-26-12-13-27-28/h4-7,10-14,16,18,20,30H,8-9,15H2,1-3H3/t16-,18-,20?/m1/s1
InChIKeyOFPDSOQKEFGGTK-PGBVBIMESA-N
MW420.51 g/mol
LogP3.96
Rot. Bonds6

About [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 118920904) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID118920904
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(C(C)(C)O)ccn2)CC1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H28N4O3/c1-16-8-9-18(31-22-14-17(10-11-25-22)24(2,3)30)15-20(16)23(29)19-6-4-5-7-21(19)28-26-12-13-27-28/h4-7,10-14,16,18,20,30H,8-9,15H2,1-3H3/t16-,18-,20?/m1/s1
InChIKeyOFPDSOQKEFGGTK-PGBVBIMESA-N
XLogP3.96
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,5R)-5-[[4-(1,1-difluoro-2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281448
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-[[4-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78324952
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
CID 158066980
[(2R,5R)-2-methyl-5-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
CID 78324940
2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;[(2R,5R)-5-[[4-(2-hydroxybutan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methoxy-N-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxamide;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylic acid;1-[2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-4-pyridinyl]ethanone
CID 159028017
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone (CID 118920904) is [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Oc2cc(C(C)(C)O)ccn2)CC1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is OFPDSOQKEFGGTK-PGBVBIMESA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-8-9-18(31-22-14-17(10-11-25-22)24(2,3)30)15-20(16)23(29)19-6-4-5-7-21(19)28-26-12-13-27-28/h4-7,10-14,16,18,20,30H,8-9,15H2,1-3H3/t16-,18-,20?/m1/s1.
What are the key properties of [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylcyclohexyl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118920904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).