8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one

C19H25BrClN3O — CID 143482726

IUPAC8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CCC12CCN(c1ncc(Br)cc1Cl)CC2
InChIInChI=1S/C19H25BrClN3O/c20-14-12-16(21)17(22-13-14)23-9-6-19(7-10-23)8-11-24(18(19)25)15-4-2-1-3-5-15/h12-13,15H,1-11H2
InChIKeyJVELRDLFBLVCTL-UHFFFAOYSA-N
MW426.79 g/mol
LogP4.65
Rot. Bonds2

About 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one

8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 143482726) has the molecular formula C19H25BrClN3O and a molecular weight of 426.79 g/mol. Its IUPAC name is 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID143482726
Molecular FormulaC19H25BrClN3O
Molecular Weight426.79 g/mol
Exact Mass425.09
IUPAC Name8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CCC12CCN(c1ncc(Br)cc1Cl)CC2
InChIInChI=1S/C19H25BrClN3O/c20-14-12-16(21)17(22-13-14)23-9-6-19(7-10-23)8-11-24(18(19)25)15-4-2-1-3-5-15/h12-13,15H,1-11H2
InChIKeyJVELRDLFBLVCTL-UHFFFAOYSA-N
XLogP4.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one (CID 143482726) is 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCCCC2)CCC12CCN(c1ncc(Br)cc1Cl)CC2.
What is the InChIKey of 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JVELRDLFBLVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrClN3O/c20-14-12-16(21)17(22-13-14)23-9-6-19(7-10-23)8-11-24(18(19)25)15-4-2-1-3-5-15/h12-13,15H,1-11H2.
What are the key properties of 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one?
8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 426.79 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 143482726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).