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

C23H28F3N3O3 — CID 146627527

IUPAC2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C23H28F3N3O3/c1-16(12-23(24,25)26)19(30)29-11-8-22(32,21(14-29)6-2-3-7-21)15-28-10-5-17-4-9-27-13-18(17)20(28)31/h4-5,9-10,13,16,32H,2-3,6-8,11-12,14-15H2,1H3/t16-,22?/m1/s1
InChIKeyKMNYIHSPCMTVTC-XESZBRCGSA-N
MW451.49 g/mol
LogP3.51
Rot. Bonds4

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

2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 146627527) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID146627527
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C23H28F3N3O3/c1-16(12-23(24,25)26)19(30)29-11-8-22(32,21(14-29)6-2-3-7-21)15-28-10-5-17-4-9-27-13-18(17)20(28)31/h4-5,9-10,13,16,32H,2-3,6-8,11-12,14-15H2,1H3/t16-,22?/m1/s1
InChIKeyKMNYIHSPCMTVTC-XESZBRCGSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one with MolForge

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Related Compounds

1-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-[1,6]naphthyridin-4-one
CID 11668984
[4-[2-(Trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
CID 72195508
US11807646, Example 171
CID 139370249
US11807646, Example 157
CID 139375407
US11807646, Example 20
CID 139375562
US11807646, Example 153
CID 139375645
US11807646, Example 19
CID 139375655
US11807646, Example 103
CID 139375783
US11807646, Example 137
CID 146627543
3-({3-[2-(2,6-Difluorophenyl)ethyl]-1-piperidinyl}carbonyl)pyridine
CID 45179184
Pyridin-3-yl(2-azaspiro[5.5]undecan-2-yl)methanone
CID 54582941
(4S*)-3,3,4-trimethyl-1-[(2-methyl-4-phenylpyridin-3-yl)carbonyl]piperidin-4-ol
CID 70707942

Frequently Asked Questions

What is the IUPAC name of 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one (CID 146627527) is 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1.
What is the InChIKey of 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is KMNYIHSPCMTVTC-XESZBRCGSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-16(12-23(24,25)26)19(30)29-11-8-22(32,21(14-29)6-2-3-7-21)15-28-10-5-17-4-9-27-13-18(17)20(28)31/h4-5,9-10,13,16,32H,2-3,6-8,11-12,14-15H2,1H3/t16-,22?/m1/s1.
What are the key properties of 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one?
2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 451.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 146627527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).