3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine

C24H28N4 — CID 59439101

IUPAC3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine
SMILESc1ccc(CCc2ccc(CCc3ccc(CN4CCCC4)cn3)nn2)cc1
InChIInChI=1S/C24H28N4/c1-2-6-20(7-3-1)8-11-23-14-15-24(27-26-23)13-12-22-10-9-21(18-25-22)19-28-16-4-5-17-28/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16-17,19H2
InChIKeyMZIPRWJTJUJWBX-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.04
Rot. Bonds8

About 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine

3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine (PubChem CID 59439101) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine.

Molecular Properties

Compound Name3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine
PubChem CID59439101
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine
SMILESc1ccc(CCc2ccc(CCc3ccc(CN4CCCC4)cn3)nn2)cc1
InChIInChI=1S/C24H28N4/c1-2-6-20(7-3-1)8-11-23-14-15-24(27-26-23)13-12-22-10-9-21(18-25-22)19-28-16-4-5-17-28/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16-17,19H2
InChIKeyMZIPRWJTJUJWBX-UHFFFAOYSA-N
XLogP4.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
CID 59439163
[5-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437200
1-benzylpyrrolidine;propane
CID 143692089
1-benzylazepane
CID 10954328
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[(4-benzylpiperazin-1-yl)methyl]-6-chloropyridazine
CID 104513474
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine?
The IUPAC name of 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine (CID 59439101) is 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine.
What is the SMILES notation for 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine?
The canonical SMILES for 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine is c1ccc(CCc2ccc(CCc3ccc(CN4CCCC4)cn3)nn2)cc1.
What is the InChIKey of 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine?
The InChIKey is MZIPRWJTJUJWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-2-6-20(7-3-1)8-11-23-14-15-24(27-26-23)13-12-22-10-9-21(18-25-22)19-28-16-4-5-17-28/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16-17,19H2.
What are the key properties of 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine?
3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine has a molecular weight of 372.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine is sourced from PubChem (CID 59439101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).