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

C20H19N5O — CID 164609699

IUPAC2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccccc4)n3)cc12
InChIInChI=1S/C20H19N5O/c1-13-16-9-15(7-8-17(16)25-24-13)18-10-21-11-20(22-18)23-19(12-26)14-5-3-2-4-6-14/h2-11,19,26H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyWQCXLUNOPQPYFK-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.47
Rot. Bonds5

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

2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (PubChem CID 164609699) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
PubChem CID164609699
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccccc4)n3)cc12
InChIInChI=1S/C20H19N5O/c1-13-16-9-15(7-8-17(16)25-24-13)18-10-21-11-20(22-18)23-19(12-26)14-5-3-2-4-6-14/h2-11,19,26H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyWQCXLUNOPQPYFK-UHFFFAOYSA-N
XLogP3.47
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.47
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-phenylethanol?
The IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (CID 164609699) is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is Cc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccccc4)n3)cc12.
What is the InChIKey of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The InChIKey is WQCXLUNOPQPYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-16-9-15(7-8-17(16)25-24-13)18-10-21-11-20(22-18)23-19(12-26)14-5-3-2-4-6-14/h2-11,19,26H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol has a molecular weight of 345.41 g/mol, XLogP of 3.47, 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-phenylethanol is sourced from PubChem (CID 164609699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).