naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C23H21N5O — CID 122341422

IUPACnaphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C23H21N5O/c29-23(20-8-7-18-5-1-2-6-19(18)17-20)28-15-13-27(14-16-28)22-10-9-21(24-25-22)26-11-3-4-12-26/h1-12,17H,13-16H2
InChIKeyHJZHINIKGMIHDC-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.38
Rot. Bonds3

About naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341422) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341422
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Namenaphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C23H21N5O/c29-23(20-8-7-18-5-1-2-6-19(18)17-20)28-15-13-27(14-16-28)22-10-9-21(24-25-22)26-11-3-4-12-26/h1-12,17H,13-16H2
InChIKeyHJZHINIKGMIHDC-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122341664
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
(4-bromothiophen-2-yl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341630
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341422) is naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is HJZHINIKGMIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(20-8-7-18-5-1-2-6-19(18)17-20)28-15-13-27(14-16-28)22-10-9-21(24-25-22)26-11-3-4-12-26/h1-12,17H,13-16H2.
What are the key properties of naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 383.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).