4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol

C23H26N4O2 — CID 52933379

IUPAC4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol
SMILESCCN(C[C@@H]1CCCN1)c1ccc(-c2cnccn2)cc1Oc1ccc(O)cc1
InChIInChI=1S/C23H26N4O2/c1-2-27(16-18-4-3-11-25-18)22-10-5-17(21-15-24-12-13-26-21)14-23(22)29-20-8-6-19(28)7-9-20/h5-10,12-15,18,25,28H,2-4,11,16H2,1H3/t18-/m0/s1
InChIKeyCNXQTDCHBYNJHY-SFHVURJKSA-N
MW390.49 g/mol
LogP4.22
Rot. Bonds7

About 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol

4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol (PubChem CID 52933379) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol.

Molecular Properties

Compound Name4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol
PubChem CID52933379
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol
SMILESCCN(C[C@@H]1CCCN1)c1ccc(-c2cnccn2)cc1Oc1ccc(O)cc1
InChIInChI=1S/C23H26N4O2/c1-2-27(16-18-4-3-11-25-18)22-10-5-17(21-15-24-12-13-26-21)14-23(22)29-20-8-6-19(28)7-9-20/h5-10,12-15,18,25,28H,2-4,11,16H2,1H3/t18-/m0/s1
InChIKeyCNXQTDCHBYNJHY-SFHVURJKSA-N
XLogP4.22
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol
CID 106619450
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
N-ethyl-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619398
3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 106619617
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol?
The IUPAC name of 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol (CID 52933379) is 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol.
What is the SMILES notation for 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol?
The canonical SMILES for 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol is CCN(C[C@@H]1CCCN1)c1ccc(-c2cnccn2)cc1Oc1ccc(O)cc1.
What is the InChIKey of 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol?
The InChIKey is CNXQTDCHBYNJHY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-27(16-18-4-3-11-25-18)22-10-5-17(21-15-24-12-13-26-21)14-23(22)29-20-8-6-19(28)7-9-20/h5-10,12-15,18,25,28H,2-4,11,16H2,1H3/t18-/m0/s1.
What are the key properties of 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol?
4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol has a molecular weight of 390.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol is sourced from PubChem (CID 52933379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).