2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol

C20H18FN5O — CID 164626315

IUPAC2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccc(F)cc4)n3)cc12
InChIInChI=1S/C20H18FN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyRASWQTYRURGDRW-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol

2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol (PubChem CID 164626315) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
PubChem CID164626315
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccc(F)cc4)n3)cc12
InChIInChI=1S/C20H18FN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyRASWQTYRURGDRW-UHFFFAOYSA-N
XLogP3.61
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol (CID 164626315) is 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol is Cc1[nH]nc2ccc(-c3cncc(NC(CO)c4ccc(F)cc4)n3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The InChIKey is RASWQTYRURGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol has a molecular weight of 363.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol is sourced from PubChem (CID 164626315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).