3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one

C25H30N6O3 — CID 123758720

IUPAC3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCC(N(C)Cc4ccc5c(c4)Cn4nnnc4-5)CC3)CC2C)COC1=O
InChIInChI=1S/C25H30N6O3/c1-15-11-25(24(33)31(15)21-14-34-23(32)16(21)2)8-6-19(7-9-25)29(3)12-17-4-5-20-18(10-17)13-30-22(20)26-27-28-30/h4-5,10,15,19H,6-9,11-14H2,1-3H3
InChIKeyLRABHRXOEQUQTD-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one

3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one (PubChem CID 123758720) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
PubChem CID123758720
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCC(N(C)Cc4ccc5c(c4)Cn4nnnc4-5)CC3)CC2C)COC1=O
InChIInChI=1S/C25H30N6O3/c1-15-11-25(24(33)31(15)21-14-34-23(32)16(21)2)8-6-19(7-9-25)29(3)12-17-4-5-20-18(10-17)13-30-22(20)26-27-28-30/h4-5,10,15,19H,6-9,11-14H2,1-3H3
InChIKeyLRABHRXOEQUQTD-UHFFFAOYSA-N
XLogP2.51
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-(5-hydroxy-4-methyl-2,5-dihydrofuran-3-yl)-3-methyl-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
CID 135212195
8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233033
(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118232984
8-[4,5-dihydrotetrazolo[1,5-a]quinolin-7-ylmethyl(methyl)amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233048
1-[(2R)-2-[methyl-(4-methyl-5-oxo-2H-furan-3-yl)amino]propyl]-4-(5H-tetrazolo[5,1-a]isoindol-7-ylmethylamino)cyclohexane-1-carbaldehyde
CID 126567837
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123329735
8-[(2R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-8-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 127043967
(5R,9S)-9-methyl-1-(5-oxo-2H-furan-3-yl)-5-(5H-tetrazolo[5,1-a]isoindol-7-ylmethylamino)azonan-2-one
CID 135212185
8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 153019147
7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole
CID 118665515
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233086
N-hydrazinylidene-N'-[6-[[methyl-[(3S)-3-methyl-1-oxo-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
CID 135212295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one (CID 123758720) is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCC(N(C)Cc4ccc5c(c4)Cn4nnnc4-5)CC3)CC2C)COC1=O.
What is the InChIKey of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one?
The InChIKey is LRABHRXOEQUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-15-11-25(24(33)31(15)21-14-34-23(32)16(21)2)8-6-19(7-9-25)29(3)12-17-4-5-20-18(10-17)13-30-22(20)26-27-28-30/h4-5,10,15,19H,6-9,11-14H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one?
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one has a molecular weight of 462.55 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 123758720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).