5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C28H35N5O3 — CID 168996832

IUPAC5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCC1CC(N2C(=O)CCc3cc(OCCN4CCC5(CC4)C(=O)Nc4ccc(N)cc45)cnc32)C1
InChIInChI=1S/C28H35N5O3/c1-2-18-13-21(14-18)33-25(34)6-3-19-15-22(17-30-26(19)33)36-12-11-32-9-7-28(8-10-32)23-16-20(29)4-5-24(23)31-27(28)35/h4-5,15-18,21H,2-3,6-14,29H2,1H3,(H,31,35)
InChIKeyYOGIGXFMMGGHCN-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.50
Rot. Bonds6

About 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168996832) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168996832
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCC1CC(N2C(=O)CCc3cc(OCCN4CCC5(CC4)C(=O)Nc4ccc(N)cc45)cnc32)C1
InChIInChI=1S/C28H35N5O3/c1-2-18-13-21(14-18)33-25(34)6-3-19-15-22(17-30-26(19)33)36-12-11-32-9-7-28(8-10-32)23-16-20(29)4-5-24(23)31-27(28)35/h4-5,15-18,21H,2-3,6-14,29H2,1H3,(H,31,35)
InChIKeyYOGIGXFMMGGHCN-UHFFFAOYSA-N
XLogP3.50
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170069560
5-chloro-1'-[2-[[1-(3-hydroxycyclobutyl)-2-oxo-8-(trifluoromethyl)-3,4-dihydroquinolin-6-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996960
6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997722
1'-[2-(4-aminophenoxy)ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997467
1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 170057150
5-chloro-1'-[2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170118776
5-chloro-1'-[2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997481
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612
6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 170121840
5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]
CID 168997653
5-(difluoromethyl)-1'-[2-[[6-methyl-5-(2-oxobutyl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996404

Frequently Asked Questions

What is the IUPAC name of 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168996832) is 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CCC1CC(N2C(=O)CCc3cc(OCCN4CCC5(CC4)C(=O)Nc4ccc(N)cc45)cnc32)C1.
What is the InChIKey of 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is YOGIGXFMMGGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-2-18-13-21(14-18)33-25(34)6-3-19-15-22(17-30-26(19)33)36-12-11-32-9-7-28(8-10-32)23-16-20(29)4-5-24(23)31-27(28)35/h4-5,15-18,21H,2-3,6-14,29H2,1H3,(H,31,35).
What are the key properties of 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 489.62 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).