3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one

C29H38FN3O3 — CID 134218470

IUPAC3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCC2)C1
InChIInChI=1S/C29H38FN3O3/c1-21(16-22-8-3-2-4-9-22)27(35)32-15-14-29(36,28(18-32)12-7-13-28)19-33-20-31-25(17-26(33)34)23-10-5-6-11-24(23)30/h5-6,10-11,17,20-22,36H,2-4,7-9,12-16,18-19H2,1H3/t21-,29?/m1/s1
InChIKeyGKACINHWXHNIGE-QYWNIODHSA-N
MW495.64 g/mol
LogP4.79
Rot. Bonds6

About 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one

3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one (PubChem CID 134218470) has the molecular formula C29H38FN3O3 and a molecular weight of 495.64 g/mol. Its IUPAC name is 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
PubChem CID134218470
Molecular FormulaC29H38FN3O3
Molecular Weight495.64 g/mol
Exact Mass495.29
IUPAC Name3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCC2)C1
InChIInChI=1S/C29H38FN3O3/c1-21(16-22-8-3-2-4-9-22)27(35)32-15-14-29(36,28(18-32)12-7-13-28)19-33-20-31-25(17-26(33)34)23-10-5-6-11-24(23)30/h5-6,10-11,17,20-22,36H,2-4,7-9,12-16,18-19H2,1H3/t21-,29?/m1/s1
InChIKeyGKACINHWXHNIGE-QYWNIODHSA-N
XLogP4.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The IUPAC name of 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one (CID 134218470) is 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The canonical SMILES for 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCC2)C1.
What is the InChIKey of 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The InChIKey is GKACINHWXHNIGE-QYWNIODHSA-N. The full InChI is InChI=1S/C29H38FN3O3/c1-21(16-22-8-3-2-4-9-22)27(35)32-15-14-29(36,28(18-32)12-7-13-28)19-33-20-31-25(17-26(33)34)23-10-5-6-11-24(23)30/h5-6,10-11,17,20-22,36H,2-4,7-9,12-16,18-19H2,1H3/t21-,29?/m1/s1.
What are the key properties of 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one has a molecular weight of 495.64 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(2R)-3-cyclohexyl-2-methylpropanoyl]-9-hydroxy-6-azaspiro[3.5]nonan-9-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one is sourced from PubChem (CID 134218470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).