2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol

C27H19N5O3 — CID 167034149

IUPAC2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
SMILESCCOC1=NC(c2nc3ncc(C#Cc4ccccc4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C27H19N5O3/c1-3-35-23-14-7-11-20(30-23)26-31-25-27(32(26)24-21(33)12-8-13-22(24)34-2)29-19(17-28-25)16-15-18-9-5-4-6-10-18/h4-6,8-10,12-14,17,33H,3H2,1-2H3
InChIKeyCPIPEDAYUNEBOA-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.03
Rot. Bonds4

About 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol

2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol (PubChem CID 167034149) has the molecular formula C27H19N5O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
PubChem CID167034149
Molecular FormulaC27H19N5O3
Molecular Weight461.48 g/mol
Exact Mass461.15
IUPAC Name2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
SMILESCCOC1=NC(c2nc3ncc(C#Cc4ccccc4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C27H19N5O3/c1-3-35-23-14-7-11-20(30-23)26-31-25-27(32(26)24-21(33)12-8-13-22(24)34-2)29-19(17-28-25)16-15-18-9-5-4-6-10-18/h4-6,8-10,12-14,17,33H,3H2,1-2H3
InChIKeyCPIPEDAYUNEBOA-UHFFFAOYSA-N
XLogP4.03
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
CID 167034462
2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol
CID 167034535
N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 176547858
N-[2-(6-ethoxy-2-pyridinyl)-3-(2-hydroxy-6-methoxyphenyl)-6-(phenylmethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
CID 176543843
N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide
CID 176547934
5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine
CID 176547859
N-[6-(6-ethoxy-2-pyridinyl)-5-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-c]pyridazin-3-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 176547897
2-(5-fluoropyrimidin-2-yl)-N-[4-(2-hydroxy-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]ethanesulfonamide
CID 126561669
5-(6-cyclopropyloxy-2-pyridinyl)-4-(2-hydroxy-6-methoxyphenyl)-N-(pyrimidin-2-ylmethylsulfonyl)-1,2,4-triazole-3-carboxamide
CID 176545074
(2S,3R)-3-(5-fluoropyrimidin-2-yl)-N-[4-(2-hydroxy-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]butane-2-sulfonamide
CID 126553208
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-pyrimidin-2-ylsulfanylimidazo[4,5-b]pyrazin-5-amine
CID 146509286
N-[(3-fluorophenyl)methylsulfonyl]-4-(2-hydroxy-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 176545076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol?
The IUPAC name of 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol (CID 167034149) is 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol.
What is the SMILES notation for 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol?
The canonical SMILES for 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol is CCOC1=NC(c2nc3ncc(C#Cc4ccccc4)nc3n2-c2c(O)cccc2OC)=C=C=C1.
What is the InChIKey of 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol?
The InChIKey is CPIPEDAYUNEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O3/c1-3-35-23-14-7-11-20(30-23)26-31-25-27(32(26)24-21(33)12-8-13-22(24)34-2)29-19(17-28-25)16-15-18-9-5-4-6-10-18/h4-6,8-10,12-14,17,33H,3H2,1-2H3.
What are the key properties of 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol?
2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol has a molecular weight of 461.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol is sourced from PubChem (CID 167034149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).