4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol

C23H26N2O3S — CID 137290520

IUPAC4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol
SMILESCCc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccc(O)c(OC)c3)c2)s1
InChIInChI=1S/C23H26N2O3S/c1-3-18-7-9-22(29-18)16-11-19(15-6-8-20(26)21(12-15)27-2)25-23(13-16)24-14-17-5-4-10-28-17/h6-9,11-13,17,26H,3-5,10,14H2,1-2H3,(H,24,25)
InChIKeyOAACMYREZFQKMR-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.34
Rot. Bonds7

About 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol

4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol (PubChem CID 137290520) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol
PubChem CID137290520
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol
SMILESCCc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccc(O)c(OC)c3)c2)s1
InChIInChI=1S/C23H26N2O3S/c1-3-18-7-9-22(29-18)16-11-19(15-6-8-20(26)21(12-15)27-2)25-23(13-16)24-14-17-5-4-10-28-17/h6-9,11-13,17,26H,3-5,10,14H2,1-2H3,(H,24,25)
InChIKeyOAACMYREZFQKMR-UHFFFAOYSA-N
XLogP5.34
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-chloro-6-fluorophenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307091
3-[4-(3-methyl-1-benzothiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
CID 134089054
2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
CID 137290718
2-N-(4-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935671
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 11176284
2-ethoxy-4-[8-methyl-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 1140879
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-methoxy-4-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]phenol
CID 136816819
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol (CID 137290520) is 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol is CCc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccc(O)c(OC)c3)c2)s1.
What is the InChIKey of 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol?
The InChIKey is OAACMYREZFQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-18-7-9-22(29-18)16-11-19(15-6-8-20(26)21(12-15)27-2)25-23(13-16)24-14-17-5-4-10-28-17/h6-9,11-13,17,26H,3-5,10,14H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol?
4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol has a molecular weight of 410.54 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 137290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).