9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane

C24H30N6 — CID 59818716

IUPAC9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
SMILESc1cn2cc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nc3)cnc2n1
InChIInChI=1S/C24H30N6/c1-2-21(3-1)28-11-6-24(7-12-28)8-13-29(14-9-24)22-5-4-19(16-26-22)20-17-27-23-25-10-15-30(23)18-20/h4-5,10,15-18,21H,1-3,6-9,11-14H2
InChIKeyZLRJWOYCNSUABJ-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.03
Rot. Bonds3

About 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 59818716) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
PubChem CID59818716
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
SMILESc1cn2cc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nc3)cnc2n1
InChIInChI=1S/C24H30N6/c1-2-21(3-1)28-11-6-24(7-12-28)8-13-29(14-9-24)22-5-4-19(16-26-22)20-17-27-23-25-10-15-30(23)18-20/h4-5,10,15-18,21H,1-3,6-9,11-14H2
InChIKeyZLRJWOYCNSUABJ-UHFFFAOYSA-N
XLogP4.03
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane (CID 59818716) is 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane is c1cn2cc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nc3)cnc2n1.
What is the InChIKey of 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is ZLRJWOYCNSUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-2-21(3-1)28-11-6-24(7-12-28)8-13-29(14-9-24)22-5-4-19(16-26-22)20-17-27-23-25-10-15-30(23)18-20/h4-5,10,15-18,21H,1-3,6-9,11-14H2.
What are the key properties of 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 402.55 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-(5-imidazo[1,2-a]pyrimidin-6-yl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59818716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).