(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

C24H35N3O2Si — CID 66722303

IUPAC(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESC[Si](C)(C)C#Cc1cccnc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C24H35N3O2Si/c1-30(2,3)17-11-19-6-4-14-25-22(19)26-15-5-12-24(18-26)13-16-27(23(24)29)20-7-9-21(28)10-8-20/h4,6,14,20-21,28H,5,7-10,12-13,15-16,18H2,1-3H3/t20?,21?,24-/m0/s1
InChIKeyMHSQSZZZGNMUHN-VUNKPPBISA-N
MW425.65 g/mol
LogP3.43
Rot. Bonds2

About (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722303) has the molecular formula C24H35N3O2Si and a molecular weight of 425.65 g/mol. Its IUPAC name is (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722303
Molecular FormulaC24H35N3O2Si
Molecular Weight425.65 g/mol
Exact Mass425.25
IUPAC Name(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESC[Si](C)(C)C#Cc1cccnc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C24H35N3O2Si/c1-30(2,3)17-11-19-6-4-14-25-22(19)26-15-5-12-24(18-26)13-16-27(23(24)29)20-7-9-21(28)10-8-20/h4,6,14,20-21,28H,5,7-10,12-13,15-16,18H2,1-3H3/t20?,21?,24-/m0/s1
InChIKeyMHSQSZZZGNMUHN-VUNKPPBISA-N
XLogP3.43
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 66722303) is (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is C[Si](C)(C)C#Cc1cccnc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MHSQSZZZGNMUHN-VUNKPPBISA-N. The full InChI is InChI=1S/C24H35N3O2Si/c1-30(2,3)17-11-19-6-4-14-25-22(19)26-15-5-12-24(18-26)13-16-27(23(24)29)20-7-9-21(28)10-8-20/h4,6,14,20-21,28H,5,7-10,12-13,15-16,18H2,1-3H3/t20?,21?,24-/m0/s1.
What are the key properties of (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 425.65 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).