3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C19H20N4O2 — CID 118739497

IUPAC3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3ccnnc3)CC2)CC1c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17-16(14-4-2-1-3-5-14)12-19(22-17)7-10-23(11-8-19)18(25)15-6-9-20-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24)
InChIKeyVYMDKDGWFYVPRU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.76
Rot. Bonds2

About 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118739497) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118739497
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3ccnnc3)CC2)CC1c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17-16(14-4-2-1-3-5-14)12-19(22-17)7-10-23(11-8-19)18(25)15-6-9-20-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24)
InChIKeyVYMDKDGWFYVPRU-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N-isopropylpyridazine-3-carboxamide
CID 49862375
6-Methyl-pyridazine-4-carboxylic acid[3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
CID 118521899
US10689345, Example 67
CID 122590485
US10343992, Example 152
CID 122590536
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-4-carboxamide
CID 129626086
(R)-N-(1-cyanopyrrolidin-3-yl)-5-phenylpyridazine-3-carboxamide
CID 146676341
N-[2-(3-phenyl-1-piperidinyl)ethyl]-4-(1H-pyrazol-3-yl)benzamide
CID 72838818
N-[2-(4-Phenylpiperidin-1-YL)ethyl]-4-(1H-pyrazol-3-YL)benzamide
CID 72890537
(3aR,6aR)-5-[(3-methylphenyl)methyl]-2-(pyridazine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507813
(3aR,6aR)-5-[(3-fluorophenyl)methyl]-2-(pyridazine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507850
8-(Pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740945
N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide
CID 118742529

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118739497) is 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(C(=O)c3ccnnc3)CC2)CC1c1ccccc1.
What is the InChIKey of 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VYMDKDGWFYVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17-16(14-4-2-1-3-5-14)12-19(22-17)7-10-23(11-8-19)18(25)15-6-9-20-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24).
What are the key properties of 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).