2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol

C19H26N6O — CID 46216813

IUPAC2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
InChIKeyAMYLYHGYASWELD-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.25
Rot. Bonds5

About 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol

2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol (PubChem CID 46216813) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol
PubChem CID46216813
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
InChIKeyAMYLYHGYASWELD-UHFFFAOYSA-N
XLogP1.25
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol (CID 46216813) is 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1.
What is the InChIKey of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is AMYLYHGYASWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2.
What are the key properties of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol?
2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 354.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 46216813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).