2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one

C28H39N3O3 — CID 146627543

IUPAC2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C28H39N3O3/c1-21(17-22-7-3-2-4-8-22)25(32)31-16-13-28(34,27(19-31)11-5-6-12-27)20-30-15-10-23-9-14-29-18-24(23)26(30)33/h9-10,14-15,18,21-22,34H,2-8,11-13,16-17,19-20H2,1H3/t21-,28?/m1/s1
InChIKeySUALRKISEZBLPJ-IHKRANBOSA-N
MW465.64 g/mol
LogP4.53
Rot. Bonds5

About 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one

2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 146627543) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID146627543
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C28H39N3O3/c1-21(17-22-7-3-2-4-8-22)25(32)31-16-13-28(34,27(19-31)11-5-6-12-27)20-30-15-10-23-9-14-29-18-24(23)26(30)33/h9-10,14-15,18,21-22,34H,2-8,11-13,16-17,19-20H2,1H3/t21-,28?/m1/s1
InChIKeySUALRKISEZBLPJ-IHKRANBOSA-N
XLogP4.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (CID 146627543) is 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1.
What is the InChIKey of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is SUALRKISEZBLPJ-IHKRANBOSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-21(17-22-7-3-2-4-8-22)25(32)31-16-13-28(34,27(19-31)11-5-6-12-27)20-30-15-10-23-9-14-29-18-24(23)26(30)33/h9-10,14-15,18,21-22,34H,2-8,11-13,16-17,19-20H2,1H3/t21-,28?/m1/s1.
What are the key properties of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 465.64 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 146627543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).