6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine

C25H24ClN5 — CID 71066686

IUPAC6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3cnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H24ClN5/c26-19-5-3-4-18(14-19)15-23-21-6-1-2-7-22(21)24(17-28-23)30-10-12-31(13-11-30)25-9-8-20(27)16-29-25/h1-9,14,16-17H,10-13,15,27H2
InChIKeyHQFUGMDBTQZOJR-UHFFFAOYSA-N
MW429.96 g/mol
LogP4.78
Rot. Bonds4

About 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine

6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine (PubChem CID 71066686) has the molecular formula C25H24ClN5 and a molecular weight of 429.96 g/mol. Its IUPAC name is 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine
PubChem CID71066686
Molecular FormulaC25H24ClN5
Molecular Weight429.96 g/mol
Exact Mass429.17
IUPAC Name6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3cnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H24ClN5/c26-19-5-3-4-18(14-19)15-23-21-6-1-2-7-22(21)24(17-28-23)30-10-12-31(13-11-30)25-9-8-20(27)16-29-25/h1-9,14,16-17H,10-13,15,27H2
InChIKeyHQFUGMDBTQZOJR-UHFFFAOYSA-N
XLogP4.78
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine (CID 71066686) is 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(c3cnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is HQFUGMDBTQZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5/c26-19-5-3-4-18(14-19)15-23-21-6-1-2-7-22(21)24(17-28-23)30-10-12-31(13-11-30)25-9-8-20(27)16-29-25/h1-9,14,16-17H,10-13,15,27H2.
What are the key properties of 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine?
6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 429.96 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[(3-chlorophenyl)methyl]isoquinolin-4-yl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 71066686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).