1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine

C22H21N7 — CID 56947892

IUPAC1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
SMILESc1ccc2c(-c3ccnc(N4CCNCC4)c3)nc(Nc3cnccn3)cc2c1
InChIInChI=1S/C22H21N7/c1-2-4-18-16(3-1)13-19(27-20-15-24-7-8-25-20)28-22(18)17-5-6-26-21(14-17)29-11-9-23-10-12-29/h1-8,13-15,23H,9-12H2,(H,25,27,28)
InChIKeyHPEBVNITLCWRGD-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine

1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine (PubChem CID 56947892) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
PubChem CID56947892
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
SMILESc1ccc2c(-c3ccnc(N4CCNCC4)c3)nc(Nc3cnccn3)cc2c1
InChIInChI=1S/C22H21N7/c1-2-4-18-16(3-1)13-19(27-20-15-24-7-8-25-20)28-22(18)17-5-6-26-21(14-17)29-11-9-23-10-12-29/h1-8,13-15,23H,9-12H2,(H,25,27,28)
InChIKeyHPEBVNITLCWRGD-UHFFFAOYSA-N
XLogP3.24
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The IUPAC name of 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine (CID 56947892) is 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine.
What is the SMILES notation for 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The canonical SMILES for 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine is c1ccc2c(-c3ccnc(N4CCNCC4)c3)nc(Nc3cnccn3)cc2c1.
What is the InChIKey of 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The InChIKey is HPEBVNITLCWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-4-18-16(3-1)13-19(27-20-15-24-7-8-25-20)28-22(18)17-5-6-26-21(14-17)29-11-9-23-10-12-29/h1-8,13-15,23H,9-12H2,(H,25,27,28).
What are the key properties of 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine has a molecular weight of 383.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine is sourced from PubChem (CID 56947892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).