2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol

C21H19N5OS — CID 155171449

IUPAC2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol
SMILESCc1cc(-c2ccc(CC(O)Nc3ccc(-c4cnccn4)cn3)s2)ccn1
InChIInChI=1S/C21H19N5OS/c1-14-10-15(6-7-23-14)19-4-3-17(28-19)11-21(27)26-20-5-2-16(12-25-20)18-13-22-8-9-24-18/h2-10,12-13,21,27H,11H2,1H3,(H,25,26)
InChIKeyRAKRPTARZWKVCN-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.94
Rot. Bonds6

About 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol

2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol (PubChem CID 155171449) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol
PubChem CID155171449
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol
SMILESCc1cc(-c2ccc(CC(O)Nc3ccc(-c4cnccn4)cn3)s2)ccn1
InChIInChI=1S/C21H19N5OS/c1-14-10-15(6-7-23-14)19-4-3-17(28-19)11-21(27)26-20-5-2-16(12-25-20)18-13-22-8-9-24-18/h2-10,12-13,21,27H,11H2,1H3,(H,25,26)
InChIKeyRAKRPTARZWKVCN-UHFFFAOYSA-N
XLogP3.94
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol (CID 155171449) is 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol is Cc1cc(-c2ccc(CC(O)Nc3ccc(-c4cnccn4)cn3)s2)ccn1.
What is the InChIKey of 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol?
The InChIKey is RAKRPTARZWKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-14-10-15(6-7-23-14)19-4-3-17(28-19)11-21(27)26-20-5-2-16(12-25-20)18-13-22-8-9-24-18/h2-10,12-13,21,27H,11H2,1H3,(H,25,26).
What are the key properties of 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol?
2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol has a molecular weight of 389.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 155171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).