6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one

C27H38N4O3 — CID 139372633

IUPAC6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C27H38N4O3/c1-20(15-21-7-3-2-4-8-21)24(32)31-14-12-27(34,26(17-31)10-5-6-11-26)18-30-13-9-23-22(25(30)33)16-28-19-29-23/h9,13,16,19-21,34H,2-8,10-12,14-15,17-18H2,1H3
InChIKeyWQDPGZGPKIWGIS-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.92
Rot. Bonds5

About 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one

6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 139372633) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one
PubChem CID139372633
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C27H38N4O3/c1-20(15-21-7-3-2-4-8-21)24(32)31-14-12-27(34,26(17-31)10-5-6-11-26)18-30-13-9-23-22(25(30)33)16-28-19-29-23/h9,13,16,19-21,34H,2-8,10-12,14-15,17-18H2,1H3
InChIKeyWQDPGZGPKIWGIS-UHFFFAOYSA-N
XLogP3.92
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one (CID 139372633) is 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one is CC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1.
What is the InChIKey of 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WQDPGZGPKIWGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-20(15-21-7-3-2-4-8-21)24(32)31-14-12-27(34,26(17-31)10-5-6-11-26)18-30-13-9-23-22(25(30)33)16-28-19-29-23/h9,13,16,19-21,34H,2-8,10-12,14-15,17-18H2,1H3.
What are the key properties of 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?
6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 466.63 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139372633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).