7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C16H16N4O2S — CID 118739645

IUPAC7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccnnc1)N1CCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C16H16N4O2S/c21-14(12-1-5-17-18-9-12)19-6-3-16(11-19)4-7-20(15(16)22)13-2-8-23-10-13/h1-2,5,8-10H,3-4,6-7,11H2
InChIKeyOCHXFBBWEYZARF-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.81
Rot. Bonds2

About 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118739645) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118739645
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccnnc1)N1CCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C16H16N4O2S/c21-14(12-1-5-17-18-9-12)19-6-3-16(11-19)4-7-20(15(16)22)13-2-8-23-10-13/h1-2,5,8-10H,3-4,6-7,11H2
InChIKeyOCHXFBBWEYZARF-UHFFFAOYSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155827489
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744317
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155866496
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
1-(1-oxo-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686150
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131680105
2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 131680313

Frequently Asked Questions

What is the IUPAC name of 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 118739645) is 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccnnc1)N1CCC2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is OCHXFBBWEYZARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-14(12-1-5-17-18-9-12)19-6-3-16(11-19)4-7-20(15(16)22)13-2-8-23-10-13/h1-2,5,8-10H,3-4,6-7,11H2.
What are the key properties of 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 328.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118739645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).