methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate

C23H25N3O4 — CID 142527037

IUPACmethyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1
InChIInChI=1S/C23H25N3O4/c1-28-23(27)14-17-5-4-6-18(13-17)16-30-19-8-9-20(24-15-19)21-10-11-25-26(21)22-7-2-3-12-29-22/h4-6,8-11,13,15,22H,2-3,7,12,14,16H2,1H3
InChIKeyQDKPXSPFMOZUOU-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.94
Rot. Bonds7

About methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate

methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate (PubChem CID 142527037) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
PubChem CID142527037
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namemethyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1
InChIInChI=1S/C23H25N3O4/c1-28-23(27)14-17-5-4-6-18(13-17)16-30-19-8-9-20(24-15-19)21-10-11-25-26(21)22-7-2-3-12-29-22/h4-6,8-11,13,15,22H,2-3,7,12,14,16H2,1H3
InChIKeyQDKPXSPFMOZUOU-UHFFFAOYSA-N
XLogP3.94
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate with MolForge

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Related Compounds

5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360847
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
CID 142526883
tert-butyl 2-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetate
CID 142526850
1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
CID 142526656
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
CID 142526728
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]prop-1-ynyl]pyridine-4-carboxylate
CID 142526877
(E)-3-[2-fluoro-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid
CID 146658407
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
CID 142526707
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
CID 142526681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate (CID 142527037) is methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate is COC(=O)Cc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1.
What is the InChIKey of methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate?
The InChIKey is QDKPXSPFMOZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-23(27)14-17-5-4-6-18(13-17)16-30-19-8-9-20(24-15-19)21-10-11-25-26(21)22-7-2-3-12-29-22/h4-6,8-11,13,15,22H,2-3,7,12,14,16H2,1H3.
What are the key properties of methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate?
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate has a molecular weight of 407.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate is sourced from PubChem (CID 142527037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).