[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone

C22H26N6O3 — CID 123315566

IUPAC[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccn[nH]2)n1
InChIInChI=1S/C22H26N6O3/c1-13-4-5-15(31-21-14(2)17(23)8-10-24-21)12-28(13)22(29)16-6-7-19(30-3)26-20(16)18-9-11-25-27-18/h6-11,13,15H,4-5,12H2,1-3H3,(H2,23,24)(H,25,27)
InChIKeyVPGHGTOCQYLZGR-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.84
Rot. Bonds5

About [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone (PubChem CID 123315566) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
PubChem CID123315566
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccn[nH]2)n1
InChIInChI=1S/C22H26N6O3/c1-13-4-5-15(31-21-14(2)17(23)8-10-24-21)12-28(13)22(29)16-6-7-19(30-3)26-20(16)18-9-11-25-27-18/h6-11,13,15H,4-5,12H2,1-3H3,(H2,23,24)(H,25,27)
InChIKeyVPGHGTOCQYLZGR-UHFFFAOYSA-N
XLogP2.84
TPSA119.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 123425713
[(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium
CID 144616287
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
CID 90110369
methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
CID 90237819
[(2R,5R)-2,5-dimethylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 144616336
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile;2-[(3R,6R)-1-(6-methoxy-2-phenylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 157232278
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123879320
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123549080
potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate
CID 162253075
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222492
2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296
[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
CID 121439819

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone (CID 123315566) is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The canonical SMILES for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone is COc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccn[nH]2)n1.
What is the InChIKey of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The InChIKey is VPGHGTOCQYLZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-13-4-5-15(31-21-14(2)17(23)8-10-24-21)12-28(13)22(29)16-6-7-19(30-3)26-20(16)18-9-11-25-27-18/h6-11,13,15H,4-5,12H2,1-3H3,(H2,23,24)(H,25,27).
What are the key properties of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 422.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 123315566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).