9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane

C21H28N6 — CID 24872312

IUPAC9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESc1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1
InChIInChI=1S/C21H28N6/c1-2-18(3-1)26-10-6-21(7-11-26)8-12-27(13-9-21)20-5-4-19(24-25-20)17-14-22-16-23-15-17/h4-5,14-16,18H,1-3,6-13H2
InChIKeyGWGINUBOZNKZLP-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.17
Rot. Bonds3

About 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 24872312) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID24872312
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESc1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1
InChIInChI=1S/C21H28N6/c1-2-18(3-1)26-10-6-21(7-11-26)8-12-27(13-9-21)20-5-4-19(24-25-20)17-14-22-16-23-15-17/h4-5,14-16,18H,1-3,6-13H2
InChIKeyGWGINUBOZNKZLP-UHFFFAOYSA-N
XLogP3.17
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818870
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridazin-3-yl]-9-cyclobutyl-3,9-diazaspiro[5.5]undecane
CID 59818730
2-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]acetaldehyde
CID 87626174
9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 59818869
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818679
9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 24873344
[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 59818670
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
CID 59818719
1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
CID 143404073
9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 59818716
6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-pentan-2-ylpyridine-3-carboxamide
CID 59818775
3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
CID 68858617

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane (CID 24872312) is 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane is c1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1.
What is the InChIKey of 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is GWGINUBOZNKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-2-18(3-1)26-10-6-21(7-11-26)8-12-27(13-9-21)20-5-4-19(24-25-20)17-14-22-16-23-15-17/h4-5,14-16,18H,1-3,6-13H2.
What are the key properties of 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 364.50 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 24872312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).