2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H26N4O2 — CID 72887510

IUPAC2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(C(=O)c3cccnn3)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H26N4O2/c1-2-25-16-22(15-18(20(25)27)17-7-4-3-5-8-17)10-13-26(14-11-22)21(28)19-9-6-12-23-24-19/h3-9,12,18H,2,10-11,13-16H2,1H3
InChIKeyJRDABVGDSVFSLQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.73
Rot. Bonds3

About 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72887510) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72887510
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(C(=O)c3cccnn3)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H26N4O2/c1-2-25-16-22(15-18(20(25)27)17-7-4-3-5-8-17)10-13-26(14-11-22)21(28)19-9-6-12-23-24-19/h3-9,12,18H,2,10-11,13-16H2,1H3
InChIKeyJRDABVGDSVFSLQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-9-(1-methylpyrazole-4-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72902995
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815
N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
CID 72865020
(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144161
2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72895513
(4R)-2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97135166
3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
CID 72863507
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97194577
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97147860
(4S)-9-cyclopropylsulfonyl-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138482
N-cyclopropyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 72896129
(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97154436

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72887510) is 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(C(=O)c3cccnn3)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JRDABVGDSVFSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-25-16-22(15-18(20(25)27)17-7-4-3-5-8-17)10-13-26(14-11-22)21(28)19-9-6-12-23-24-19/h3-9,12,18H,2,10-11,13-16H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72887510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).