1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one

C29H40N4O3 — CID 139375655

IUPAC1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccnc3)ncc2=O)C2(CCCC2)C1
InChIInChI=1S/C29H40N4O3/c1-22(16-23-8-3-2-4-9-23)27(35)32-15-13-29(36,28(20-32)11-5-6-12-28)21-33-19-25(31-18-26(33)34)24-10-7-14-30-17-24/h7,10,14,17-19,22-23,36H,2-6,8-9,11-13,15-16,20-21H2,1H3/t22-,29?/m1/s1
InChIKeyPUMNMTXBEYWVLG-DMDVIOLWSA-N
MW492.66 g/mol
LogP4.44
Rot. Bonds6

About 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one

1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one (PubChem CID 139375655) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one
PubChem CID139375655
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccnc3)ncc2=O)C2(CCCC2)C1
InChIInChI=1S/C29H40N4O3/c1-22(16-23-8-3-2-4-9-23)27(35)32-15-13-29(36,28(20-32)11-5-6-12-28)21-33-19-25(31-18-26(33)34)24-10-7-14-30-17-24/h7,10,14,17-19,22-23,36H,2-6,8-9,11-13,15-16,20-21H2,1H3/t22-,29?/m1/s1
InChIKeyPUMNMTXBEYWVLG-DMDVIOLWSA-N
XLogP4.44
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one with MolForge

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Related Compounds

((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
Adamantan-1-yl-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 644435
(4-Benzyl-4-hydroxypiperidin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49864754
US11053213, Example 91
CID 134218500
US11807646, Example 157
CID 139375407
US11807646, Example 14
CID 139375514
US11807646, Example 20
CID 139375562
US11807646, Example 153
CID 139375645
US11807646, Example 12
CID 139375652
US11807646, Example 103
CID 139375783
US11807646, Example 249
CID 146627515
US11807646, Example 137
CID 146627543

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one?
The IUPAC name of 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one (CID 139375655) is 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one.
What is the SMILES notation for 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one?
The canonical SMILES for 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccnc3)ncc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one?
The InChIKey is PUMNMTXBEYWVLG-DMDVIOLWSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-22(16-23-8-3-2-4-9-23)27(35)32-15-13-29(36,28(20-32)11-5-6-12-28)21-33-19-25(31-18-26(33)34)24-10-7-14-30-17-24/h7,10,14,17-19,22-23,36H,2-6,8-9,11-13,15-16,20-21H2,1H3/t22-,29?/m1/s1.
What are the key properties of 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one?
1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one has a molecular weight of 492.66 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-pyridin-3-ylpyrazin-2-one is sourced from PubChem (CID 139375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).