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

C29H35N5O3 — CID 139370249

IUPAC2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C29H35N5O3/c35-26-24-18-30-13-8-22(24)9-15-32(26)21-29(37)12-16-33(20-28(29)10-4-5-11-28)27(36)34-17-14-31-19-25(34)23-6-2-1-3-7-23/h1-3,6-9,13,15,18,25,31,37H,4-5,10-12,14,16-17,19-21H2/t25-,29?/m0/s1
InChIKeyVVRZDOSTELBVHV-GMMLNUAGSA-N
MW501.63 g/mol
LogP3.16
Rot. Bonds3

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

2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 139370249) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID139370249
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C29H35N5O3/c35-26-24-18-30-13-8-22(24)9-15-32(26)21-29(37)12-16-33(20-28(29)10-4-5-11-28)27(36)34-17-14-31-19-25(34)23-6-2-1-3-7-23/h1-3,6-9,13,15,18,25,31,37H,4-5,10-12,14,16-17,19-21H2/t25-,29?/m0/s1
InChIKeyVVRZDOSTELBVHV-GMMLNUAGSA-N
XLogP3.16
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11807646, Example 185
CID 139369838
US11807646, Example 166
CID 139369965
US11807646, Example 184
CID 139370598
US11807646, Example 157
CID 139375407
US11807646, Example 201
CID 139375475
US11807646, Example 137
CID 146627543
US11807646, Example 274
CID 146671365
US11807646, Example 200
CID 139375444
US11807646, Example 136
CID 146627527
US11807646, Example 197
CID 139375593
US11807646, Example 199
CID 139375621
2-[[10-Hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
CID 146627529

Frequently Asked Questions

What is the IUPAC name of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (CID 139370249) is 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is O=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is VVRZDOSTELBVHV-GMMLNUAGSA-N. The full InChI is InChI=1S/C29H35N5O3/c35-26-24-18-30-13-8-22(24)9-15-32(26)21-29(37)12-16-33(20-28(29)10-4-5-11-28)27(36)34-17-14-31-19-25(34)23-6-2-1-3-7-23/h1-3,6-9,13,15,18,25,31,37H,4-5,10-12,14,16-17,19-21H2/t25-,29?/m0/s1.
What are the key properties of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 501.63 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 139370249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).