[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C21H20N6O3 — CID 121439354

IUPAC[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20N6O3/c1-14-6-7-15(30-18-8-9-22-20-19(18)23-13-29-20)12-26(14)21(28)16-4-2-3-5-17(16)27-24-10-11-25-27/h2-5,8-11,13-15H,6-7,12H2,1H3/t14-,15-/m1/s1
InChIKeyMDTDILUTVOTHRE-HUUCEWRRSA-N
MW404.43 g/mol
LogP2.88
Rot. Bonds4

About [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 121439354) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID121439354
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20N6O3/c1-14-6-7-15(30-18-8-9-22-20-19(18)23-13-29-20)12-26(14)21(28)16-4-2-3-5-17(16)27-24-10-11-25-27/h2-5,8-11,13-15H,6-7,12H2,1H3/t14-,15-/m1/s1
InChIKeyMDTDILUTVOTHRE-HUUCEWRRSA-N
XLogP2.88
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,5R)-2-methyl-5-thieno[3,2-b]pyridin-7-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212674
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053
[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 143981173
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[(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
[(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
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 121439354) is [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Oc2ccnc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is MDTDILUTVOTHRE-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-14-6-7-15(30-18-8-9-22-20-19(18)23-13-29-20)12-26(14)21(28)16-4-2-3-5-17(16)27-24-10-11-25-27/h2-5,8-11,13-15H,6-7,12H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 404.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 121439354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).