2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol

C21H21N5O — CID 164624576

IUPAC2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1
InChIInChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyITOUJCOTWVZFEE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.78
Rot. Bonds5

About 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol

2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol (PubChem CID 164624576) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
PubChem CID164624576
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1
InChIInChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyITOUJCOTWVZFEE-UHFFFAOYSA-N
XLogP3.78
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol (CID 164624576) is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol is Cc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1.
What is the InChIKey of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The InChIKey is ITOUJCOTWVZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol has a molecular weight of 359.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 164624576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).