2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

C24H29N5O4 — CID 110152190

IUPAC2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCOc1cc(CN2CCCC(Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)O
InChIInChI=1S/C24H29N5O4/c1-2-32-21-13-18(5-6-20(21)33-16-22(30)31)15-29-11-3-4-17(14-29)12-19-23(26-8-7-25-19)24-27-9-10-28-24/h5-10,13,17H,2-4,11-12,14-16H2,1H3,(H,27,28)(H,30,31)
InChIKeyRCDYXEXBMZZWTO-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.18
Rot. Bonds10

About 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 110152190) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID110152190
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCOc1cc(CN2CCCC(Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)O
InChIInChI=1S/C24H29N5O4/c1-2-32-21-13-18(5-6-20(21)33-16-22(30)31)15-29-11-3-4-17(14-29)12-19-23(26-8-7-25-19)24-27-9-10-28-24/h5-10,13,17H,2-4,11-12,14-16H2,1H3,(H,27,28)(H,30,31)
InChIKeyRCDYXEXBMZZWTO-UHFFFAOYSA-N
XLogP3.18
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-ethoxy-4-[[(3R)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124965499
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
4-[[(3S)-3-[[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 125005210
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 110152162
3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
CID 110099897
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
2-[2-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125017599

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (CID 110152190) is 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is CCOc1cc(CN2CCCC(Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is RCDYXEXBMZZWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-2-32-21-13-18(5-6-20(21)33-16-22(30)31)15-29-11-3-4-17(14-29)12-19-23(26-8-7-25-19)24-27-9-10-28-24/h5-10,13,17H,2-4,11-12,14-16H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 451.53 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 110152190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).