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

C17H24N4O — CID 118740823

IUPACcyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(N2CCCC3(CCN(C(=O)C4CC4)C3)C2)nn1
InChIInChI=1S/C17H24N4O/c1-13-3-6-15(19-18-13)20-9-2-7-17(11-20)8-10-21(12-17)16(22)14-4-5-14/h3,6,14H,2,4-5,7-12H2,1H3
InChIKeyKOCKPUDHMUGCDJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.01
Rot. Bonds2

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

cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 118740823) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID118740823
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Namecyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(N2CCCC3(CCN(C(=O)C4CC4)C3)C2)nn1
InChIInChI=1S/C17H24N4O/c1-13-3-6-15(19-18-13)20-9-2-7-17(11-20)8-10-21(12-17)16(22)14-4-5-14/h3,6,14H,2,4-5,7-12H2,1H3
InChIKeyKOCKPUDHMUGCDJ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Dimethyl-1-(6-(phenylethynyl)pyridazin-3-yl)pyrrolidin-2-one
CID 53493898
4,4-Dimethyl-1-(6-(phenylethynyl)pyridazin-3-yl)piperidin-2-one
CID 57516703
1-{2-[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl]ethyl}-2-pyrrolidinone
CID 39830966
3-Methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine
CID 45185019
N-{3-[Methyl(phenyl)amino]propyl}-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771949
2-Cyclopent-2-en-1-yl-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 53571971
N-(cyclopropylmethyl)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]acetamide
CID 53617554
N-(dicyclopropylmethyl)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]acetamide
CID 53625118
1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one
CID 72933915
N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 97370755
9-(6-Methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 97450440
8-(6-Methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493673

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 118740823) is cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(N2CCCC3(CCN(C(=O)C4CC4)C3)C2)nn1.
What is the InChIKey of cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is KOCKPUDHMUGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-3-6-15(19-18-13)20-9-2-7-17(11-20)8-10-21(12-17)16(22)14-4-5-14/h3,6,14H,2,4-5,7-12H2,1H3.
What are the key properties of cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 300.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 118740823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).