[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H29N5O — CID 131663457

IUPAC[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(N2CCCC3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)nn1
InChIInChI=1S/C22H29N5O/c1-17-5-10-20(24-23-17)26-13-4-11-22(15-26)12-14-27(16-22)21(28)18-6-8-19(9-7-18)25(2)3/h5-10H,4,11-16H2,1-3H3
InChIKeyYCVBDBZDKHPJTK-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.98
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 131663457) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID131663457
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(N2CCCC3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)nn1
InChIInChI=1S/C22H29N5O/c1-17-5-10-20(24-23-17)26-13-4-11-22(15-26)12-14-27(16-22)21(28)18-6-8-19(9-7-18)25(2)3/h5-10H,4,11-16H2,1-3H3
InChIKeyYCVBDBZDKHPJTK-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 159999194
[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97492248
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
(5R)-N,N-dimethyl-9-pyridin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483862
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 131663457) is [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(N2CCCC3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)nn1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is YCVBDBZDKHPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-5-10-20(24-23-17)26-13-4-11-22(15-26)12-14-27(16-22)21(28)18-6-8-19(9-7-18)25(2)3/h5-10H,4,11-16H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 131663457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).