8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one

C33H51N7O2 — CID 134601120

IUPAC8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(CO)N1CCN(Cc2ccc(C(C)(C)CCC(C)(C)c3ccc(N4CCC5(CC4)CNC(=O)C5)nn3)nc2)CC1
InChIInChI=1S/C33H51N7O2/c1-25(23-41)39-18-16-38(17-19-39)22-26-6-7-27(34-21-26)31(2,3)10-11-32(4,5)28-8-9-29(37-36-28)40-14-12-33(13-15-40)20-30(42)35-24-33/h6-9,21,25,41H,10-20,22-24H2,1-5H3,(H,35,42)
InChIKeyAXYVSHXBWHPFTF-UHFFFAOYSA-N
MW577.82 g/mol
LogP3.51
Rot. Bonds10

About 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 134601120) has the molecular formula C33H51N7O2 and a molecular weight of 577.82 g/mol. Its IUPAC name is 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID134601120
Molecular FormulaC33H51N7O2
Molecular Weight577.82 g/mol
Exact Mass577.41
IUPAC Name8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(CO)N1CCN(Cc2ccc(C(C)(C)CCC(C)(C)c3ccc(N4CCC5(CC4)CNC(=O)C5)nn3)nc2)CC1
InChIInChI=1S/C33H51N7O2/c1-25(23-41)39-18-16-38(17-19-39)22-26-6-7-27(34-21-26)31(2,3)10-11-32(4,5)28-8-9-29(37-36-28)40-14-12-33(13-15-40)20-30(42)35-24-33/h6-9,21,25,41H,10-20,22-24H2,1-5H3,(H,35,42)
InChIKeyAXYVSHXBWHPFTF-UHFFFAOYSA-N
XLogP3.51
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134595600
2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134406405
8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 50978661
8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70754125
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 134144349
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97385532
(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652

Frequently Asked Questions

What is the IUPAC name of 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 134601120) is 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one is CC(CO)N1CCN(Cc2ccc(C(C)(C)CCC(C)(C)c3ccc(N4CCC5(CC4)CNC(=O)C5)nn3)nc2)CC1.
What is the InChIKey of 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AXYVSHXBWHPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N7O2/c1-25(23-41)39-18-16-38(17-19-39)22-26-6-7-27(34-21-26)31(2,3)10-11-32(4,5)28-8-9-29(37-36-28)40-14-12-33(13-15-40)20-30(42)35-24-33/h6-9,21,25,41H,10-20,22-24H2,1-5H3,(H,35,42).
What are the key properties of 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 577.82 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134601120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).