1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone

C30H40N4O4Si — CID 142526656

IUPAC1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O[Si](C)(C)C)(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1
InChIInChI=1S/C30H40N4O4Si/c1-23(35)33-17-14-30(15-18-33,38-39(2,3)4)25-9-7-8-24(20-25)22-37-26-11-12-27(31-21-26)28-13-16-32-34(28)29-10-5-6-19-36-29/h7-9,11-13,16,20-21,29H,5-6,10,14-15,17-19,22H2,1-4H3
InChIKeyNUVHGQMQAHHKHL-UHFFFAOYSA-N
MW548.76 g/mol
LogP5.91
Rot. Bonds8

About 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone

1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone (PubChem CID 142526656) has the molecular formula C30H40N4O4Si and a molecular weight of 548.76 g/mol. Its IUPAC name is 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
PubChem CID142526656
Molecular FormulaC30H40N4O4Si
Molecular Weight548.76 g/mol
Exact Mass548.28
IUPAC Name1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O[Si](C)(C)C)(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1
InChIInChI=1S/C30H40N4O4Si/c1-23(35)33-17-14-30(15-18-33,38-39(2,3)4)25-9-7-8-24(20-25)22-37-26-11-12-27(31-21-26)28-13-16-32-34(28)29-10-5-6-19-36-29/h7-9,11-13,16,20-21,29H,5-6,10,14-15,17-19,22H2,1-4H3
InChIKeyNUVHGQMQAHHKHL-UHFFFAOYSA-N
XLogP5.91
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.76
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466460
1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186767
US11365192, Example 51-1
CID 146658393
US11365192, Example 52-1
CID 147659267
US11365192, Example 42-15
CID 148648583
US11365192, Example 42-16
CID 149564394
US11365192, Example 42-14
CID 153015611
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53465550
7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806562
4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805886
7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806225

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone (CID 142526656) is 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone is CC(=O)N1CCC(O[Si](C)(C)C)(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1.
What is the InChIKey of 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone?
The InChIKey is NUVHGQMQAHHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4Si/c1-23(35)33-17-14-30(15-18-33,38-39(2,3)4)25-9-7-8-24(20-25)22-37-26-11-12-27(31-21-26)28-13-16-32-34(28)29-10-5-6-19-36-29/h7-9,11-13,16,20-21,29H,5-6,10,14-15,17-19,22H2,1-4H3.
What are the key properties of 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone?
1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone has a molecular weight of 548.76 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 142526656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).