9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane

C22H29N5 — CID 59818869

IUPAC9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)nc1
InChIInChI=1S/C22H29N5/c1-2-13-23-19(6-1)20-7-8-21(25-24-20)27-16-11-22(12-17-27)9-14-26(15-10-22)18-4-3-5-18/h1-2,6-8,13,18H,3-5,9-12,14-17H2
InChIKeyFGHWAESTPXFUAC-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.77
Rot. Bonds3

About 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 59818869) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID59818869
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)nc1
InChIInChI=1S/C22H29N5/c1-2-13-23-19(6-1)20-7-8-21(25-24-20)27-16-11-22(12-17-27)9-14-26(15-10-22)18-4-3-5-18/h1-2,6-8,13,18H,3-5,9-12,14-17H2
InChIKeyFGHWAESTPXFUAC-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.77
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
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-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 24873344
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
[1-(6-pyridin-2-ylpyridazin-3-yl)piperidin-3-yl]methanamine
CID 116972449
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
[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
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
3-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 139029285

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane (CID 59818869) is 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane is c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)nc1.
What is the InChIKey of 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is FGHWAESTPXFUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-2-13-23-19(6-1)20-7-8-21(25-24-20)27-16-11-22(12-17-27)9-14-26(15-10-22)18-4-3-5-18/h1-2,6-8,13,18H,3-5,9-12,14-17H2.
What are the key properties of 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 363.51 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-(6-pyridin-2-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59818869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).