2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one

C29H34N4O4 — CID 139369965

IUPAC2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C29H34N4O4/c34-26-24-18-30-13-8-22(24)9-14-31(26)21-29(36)12-15-32(20-28(29)10-4-5-11-28)27(35)33-16-17-37-19-25(33)23-6-2-1-3-7-23/h1-3,6-9,13-14,18,25,36H,4-5,10-12,15-17,19-21H2/t25-,29?/m0/s1
InChIKeyDKAPBTKHGGMZAA-GMMLNUAGSA-N
MW502.62 g/mol
LogP3.59
Rot. Bonds3

About 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one

2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 139369965) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID139369965
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C29H34N4O4/c34-26-24-18-30-13-8-22(24)9-14-31(26)21-29(36)12-15-32(20-28(29)10-4-5-11-28)27(35)33-16-17-37-19-25(33)23-6-2-1-3-7-23/h1-3,6-9,13-14,18,25,36H,4-5,10-12,15-17,19-21H2/t25-,29?/m0/s1
InChIKeyDKAPBTKHGGMZAA-GMMLNUAGSA-N
XLogP3.59
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-difluoro-3-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 139370355
4-[10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370569
5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 154926892
(3R)-4-[10-[(6-fluoro-4-oxoquinazolin-3-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139369972
1-benzyl-5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146627588
4-[10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370605
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
3-[[7-[(2S,4S)-4-amino-2-phenylpiperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627595
6-(1,3-dihydro-2-benzofuran-5-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146670914
6-(4-fluorocyclohexyl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 162711665
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-thiophen-2-ylpyrimidin-4-one
CID 146627488
6-(2,3-dihydro-1-benzofuran-6-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146627530

Frequently Asked Questions

What is the IUPAC name of 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (CID 139369965) is 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is O=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1.
What is the InChIKey of 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is DKAPBTKHGGMZAA-GMMLNUAGSA-N. The full InChI is InChI=1S/C29H34N4O4/c34-26-24-18-30-13-8-22(24)9-14-31(26)21-29(36)12-15-32(20-28(29)10-4-5-11-28)27(35)33-16-17-37-19-25(33)23-6-2-1-3-7-23/h1-3,6-9,13-14,18,25,36H,4-5,10-12,15-17,19-21H2/t25-,29?/m0/s1.
What are the key properties of 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 502.62 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 139369965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).