9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

C21H30N6 — CID 59818870

IUPAC9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1
InChIInChI=1S/C21H30N6/c1-25-16-17(15-22-25)19-5-6-20(24-23-19)27-13-9-21(10-14-27)7-11-26(12-8-21)18-3-2-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3
InChIKeyDQUJPUAIQJEDMF-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.11
Rot. Bonds3

About 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 59818870) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID59818870
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1
InChIInChI=1S/C21H30N6/c1-25-16-17(15-22-25)19-5-6-20(24-23-19)27-13-9-21(10-14-27)7-11-26(12-8-21)18-3-2-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3
InChIKeyDQUJPUAIQJEDMF-UHFFFAOYSA-N
XLogP3.11
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 24872312
2-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]acetaldehyde
CID 87626174
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridazin-3-yl]-9-cyclobutyl-3,9-diazaspiro[5.5]undecane
CID 59818730
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818679
9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 59818869
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-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 59818716
5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
CID 123248931
5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one
CID 59818676
3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 59818817
6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-pentan-2-ylpyridine-3-carboxamide
CID 59818775

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (CID 59818870) is 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is Cn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cn1.
What is the InChIKey of 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is DQUJPUAIQJEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-25-16-17(15-22-25)19-5-6-20(24-23-19)27-13-9-21(10-14-27)7-11-26(12-8-21)18-3-2-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3.
What are the key properties of 9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 366.51 g/mol, XLogP of 3.11, 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-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59818870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).