3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane

C20H27N5 — CID 97385532

IUPAC3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nn1
InChIInChI=1S/C20H27N5/c1-17-2-3-19(23-22-17)25-14-8-20(9-15-25)6-12-24(13-7-20)16-18-4-10-21-11-5-18/h2-5,10-11H,6-9,12-16H2,1H3
InChIKeyAISDKUIEOAMFEQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.06
Rot. Bonds3

About 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane

3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 97385532) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID97385532
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nn1
InChIInChI=1S/C20H27N5/c1-17-2-3-19(23-22-17)25-14-8-20(9-15-25)6-12-24(13-7-20)16-18-4-10-21-11-5-18/h2-5,10-11H,6-9,12-16H2,1H3
InChIKeyAISDKUIEOAMFEQ-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazin-3-amine
CID 154583206
1'-(6-methylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155864804
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
(4aR,7aS)-4-(6-methylpyridazin-3-yl)-6-(pyridin-4-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377499
(5aR,9aS)-8-(6-methylpyridazin-3-yl)-4-(pyridin-4-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine;bis(2,2,2-trifluoroacetic acid)
CID 155838827
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine
CID 167752923
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
(3R)-3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97483535
9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396368

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane (CID 97385532) is 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is AISDKUIEOAMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-17-2-3-19(23-22-17)25-14-8-20(9-15-25)6-12-24(13-7-20)16-18-4-10-21-11-5-18/h2-5,10-11H,6-9,12-16H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane?
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 337.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97385532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).