1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one

C18H23N5O — CID 56780008

IUPAC1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(9-3-7-16-6-1-2-10-19-16)23-13-5-12-22(14-15-23)17-8-4-11-20-21-17/h1-2,4,6,8,10-11H,3,5,7,9,12-15H2
InChIKeyMZPYJAHJWGYLFH-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.93
Rot. Bonds5

About 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one

1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one (PubChem CID 56780008) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
PubChem CID56780008
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(9-3-7-16-6-1-2-10-19-16)23-13-5-12-22(14-15-23)17-8-4-11-20-21-17/h1-2,4,6,8,10-11H,3,5,7,9,12-15H2
InChIKeyMZPYJAHJWGYLFH-UHFFFAOYSA-N
XLogP1.93
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
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1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-4-pyridin-2-ylbutan-1-one
CID 126788600
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 71980554
3-(4-methylphenoxy)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 56778438
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 75384862
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-(4-benzylpiperazin-1-yl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 86894393
2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one (CID 56780008) is 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCCN(c2cccnn2)CC1.
What is the InChIKey of 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one?
The InChIKey is MZPYJAHJWGYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(9-3-7-16-6-1-2-10-19-16)23-13-5-12-22(14-15-23)17-8-4-11-20-21-17/h1-2,4,6,8,10-11H,3,5,7,9,12-15H2.
What are the key properties of 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one?
1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one has a molecular weight of 325.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 56780008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).