3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine

C23H21N5 — CID 121317271

IUPAC3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
SMILESc1ccc2cc(-c3nnc(N4CCNCC4)cc3-c3ccncc3)ccc2c1
InChIInChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2
InChIKeyQUHUYHMRDJMTMH-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.77
Rot. Bonds3

About 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine

3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine (PubChem CID 121317271) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
PubChem CID121317271
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
SMILESc1ccc2cc(-c3nnc(N4CCNCC4)cc3-c3ccncc3)ccc2c1
InChIInChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2
InChIKeyQUHUYHMRDJMTMH-UHFFFAOYSA-N
XLogP3.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The IUPAC name of 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine (CID 121317271) is 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine.
What is the SMILES notation for 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The canonical SMILES for 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine is c1ccc2cc(-c3nnc(N4CCNCC4)cc3-c3ccncc3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The InChIKey is QUHUYHMRDJMTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2.
What are the key properties of 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine has a molecular weight of 367.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine is sourced from PubChem (CID 121317271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).