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

C19H29Cl3N6O — CID 67379907

IUPAC2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6O.3ClH/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;3*1H
InChIKeyBWCASEWZZGKPJD-UHFFFAOYSA-N
MW463.84 g/mol
LogP2.52
Rot. Bonds5

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

2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride (PubChem CID 67379907) has the molecular formula C19H29Cl3N6O and a molecular weight of 463.84 g/mol. Its IUPAC name is 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride.

Molecular Properties

Compound Name2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride
PubChem CID67379907
Molecular FormulaC19H29Cl3N6O
Molecular Weight463.84 g/mol
Exact Mass462.15
IUPAC Name2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride
SMILESCl.Cl.Cl.OCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6O.3ClH/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;3*1H
InChIKeyBWCASEWZZGKPJD-UHFFFAOYSA-N
XLogP2.52
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.84
LogP ≤ 52.52
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;trihydrochloride?
The IUPAC name of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride (CID 67379907) is 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride.
What is the SMILES notation for 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride?
The canonical SMILES for 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride is Cl.Cl.Cl.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;trihydrochloride?
The InChIKey is BWCASEWZZGKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O.3ClH/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;3*1H.
What are the key properties of 2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride?
2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride has a molecular weight of 463.84 g/mol, XLogP of 2.52, 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;trihydrochloride is sourced from PubChem (CID 67379907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).