(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one

C21H25N7O3 — CID 118233005

IUPAC(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESC[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C21H25N7O3/c1-14-9-21(20(30)28(14)17-8-19(29)31-12-17)6-4-16(5-7-21)22-10-15-2-3-18(23-11-15)27-13-24-25-26-27/h2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3/t14-,16?,21?/m1/s1
InChIKeyGTLWLLGKWDITSL-HXJYWVFZSA-N
MW423.48 g/mol
LogP1.14
Rot. Bonds5

About (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one

(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one (PubChem CID 118233005) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
PubChem CID118233005
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESC[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C21H25N7O3/c1-14-9-21(20(30)28(14)17-8-19(29)31-12-17)6-4-16(5-7-21)22-10-15-2-3-18(23-11-15)27-13-24-25-26-27/h2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3/t14-,16?,21?/m1/s1
InChIKeyGTLWLLGKWDITSL-HXJYWVFZSA-N
XLogP1.14
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 123910315
(1R,4R,8S)-4-methyl-3-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-3-azatricyclo[4.4.0.01,5]decan-2-one
CID 144885521
4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 134181479
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144885529
3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184194
3-[9-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 123809951
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
(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
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233012
8-[2-[(E)-2-(methylideneamino)-2-(tetrazol-1-yl)ethenyl]iminopropylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 126566161
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
3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145069969

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one (CID 118233005) is (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one is C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.
What is the InChIKey of (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The InChIKey is GTLWLLGKWDITSL-HXJYWVFZSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-14-9-21(20(30)28(14)17-8-19(29)31-12-17)6-4-16(5-7-21)22-10-15-2-3-18(23-11-15)27-13-24-25-26-27/h2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3/t14-,16?,21?/m1/s1.
What are the key properties of (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one has a molecular weight of 423.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118233005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).