9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

C26H36N4O — CID 59818679

IUPAC9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)Oc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1
InChIInChI=1S/C26H36N4O/c1-20(2)31-23-8-3-5-21(19-23)24-9-10-25(28-27-24)30-17-13-26(14-18-30)11-15-29(16-12-26)22-6-4-7-22/h3,5,8-10,19-20,22H,4,6-7,11-18H2,1-2H3
InChIKeyBTPBKEISRPAOJV-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.17
Rot. Bonds5

About 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 59818679) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID59818679
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)Oc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1
InChIInChI=1S/C26H36N4O/c1-20(2)31-23-8-3-5-21(19-23)24-9-10-25(28-27-24)30-17-13-26(14-18-30)11-15-29(16-12-26)22-6-4-7-22/h3,5,8-10,19-20,22H,4,6-7,11-18H2,1-2H3
InChIKeyBTPBKEISRPAOJV-UHFFFAOYSA-N
XLogP5.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 24872312
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
9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 59818869
2-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]acetaldehyde
CID 87626174
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
3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
CID 58006601
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443060
3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
CID 68858617
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443053
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46292464

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (CID 59818679) is 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is CC(C)Oc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1.
What is the InChIKey of 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is BTPBKEISRPAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-20(2)31-23-8-3-5-21(19-23)24-9-10-25(28-27-24)30-17-13-26(14-18-30)11-15-29(16-12-26)22-6-4-7-22/h3,5,8-10,19-20,22H,4,6-7,11-18H2,1-2H3.
What are the key properties of 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 420.60 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59818679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).