2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one

C154H185N47O21 — CID 159054867

IUPAC2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(CCc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(CCc4ccc5c(c4)Cn4nnnc4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4ncc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4nnc(-n5cnnn5)cc4C)CC3)C2=O)COC1=O
InChIInChI=1S/C24H27N5O3.2C23H28N6O3.C22H26N6O3.2C21H26N8O3.C20H24N8O3/c1-15-20(14-32-22(15)30)28-11-10-24(23(28)31)8-6-16(7-9-24)2-3-17-4-5-19-18(12-17)13-29-21(19)25-26-27-29;2*1-15(18-3-4-20(24-12-18)29-14-25-26-27-29)11-17-5-7-23(8-6-17)9-10-28(22(23)31)19-13-32-21(30)16(19)2;1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-16(7-9-22)2-3-17-4-5-18(12-23-17)28-14-24-25-26-28;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)22-9-16-14(2)25-18(10-23-16)29-12-24-26-27-29;1-13-9-18(29-12-23-26-27-29)25-24-16(13)10-22-15-3-5-21(6-4-15)7-8-28(20(21)31)17-11-32-19(30)14(17)2;1-13-16(11-31-18(13)29)27-7-6-20(19(27)30)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)28-12-24-25-26-28/h4-5,12,16H,2-3,6-11,13-14H2,1H3;2*3-4,12,14-15,17H,5-11,13H2,1-2H3;4-5,12,14,16H,2-3,6-11,13H2,1H3;10,12,15,22H,3-9,11H2,1-2H3;9,12,15,22H,3-8,10-11H2,1-2H3;9-10,12,14,21H,2-8,11H2,1H3/t;2*15-,17?,23?;;;;/m.10..../s1
InChIKeyJXSQIWLJEWAVPO-AAILLQQOSA-N
MW3030.48 g/mol
LogP12.90
Rot. Bonds34

About 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one

2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 159054867) has the molecular formula C154H185N47O21 and a molecular weight of 3030.48 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
PubChem CID159054867
Molecular FormulaC154H185N47O21
Molecular Weight3030.48 g/mol
Exact Mass3028.49
IUPAC Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(CCc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(CCc4ccc5c(c4)Cn4nnnc4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4ncc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4nnc(-n5cnnn5)cc4C)CC3)C2=O)COC1=O
InChIInChI=1S/C24H27N5O3.2C23H28N6O3.C22H26N6O3.2C21H26N8O3.C20H24N8O3/c1-15-20(14-32-22(15)30)28-11-10-24(23(28)31)8-6-16(7-9-24)2-3-17-4-5-19-18(12-17)13-29-21(19)25-26-27-29;2*1-15(18-3-4-20(24-12-18)29-14-25-26-27-29)11-17-5-7-23(8-6-17)9-10-28(22(23)31)19-13-32-21(30)16(19)2;1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-16(7-9-22)2-3-17-4-5-18(12-23-17)28-14-24-25-26-28;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)22-9-16-14(2)25-18(10-23-16)29-12-24-26-27-29;1-13-9-18(29-12-23-26-27-29)25-24-16(13)10-22-15-3-5-21(6-4-15)7-8-28(20(21)31)17-11-32-19(30)14(17)2;1-13-16(11-31-18(13)29)27-7-6-20(19(27)30)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)28-12-24-25-26-28/h4-5,12,16H,2-3,6-11,13-14H2,1H3;2*3-4,12,14-15,17H,5-11,13H2,1-2H3;4-5,12,14,16H,2-3,6-11,13H2,1H3;10,12,15,22H,3-9,11H2,1-2H3;9,12,15,22H,3-8,10-11H2,1-2H3;9-10,12,14,21H,2-8,11H2,1H3/t;2*15-,17?,23?;;;;/m.10..../s1
InChIKeyJXSQIWLJEWAVPO-AAILLQQOSA-N
XLogP12.90
TPSA783.57 Ų
H-Bond Donors3
H-Bond Acceptors61
Rotatable Bonds34
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003030.48
LogP ≤ 512.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one (CID 159054867) is 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCC(CCc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(CCc4ccc5c(c4)Cn4nnnc4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4ncc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(NCc4nnc(-n5cnnn5)cc4C)CC3)C2=O)COC1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is JXSQIWLJEWAVPO-AAILLQQOSA-N. The full InChI is InChI=1S/C24H27N5O3.2C23H28N6O3.C22H26N6O3.2C21H26N8O3.C20H24N8O3/c1-15-20(14-32-22(15)30)28-11-10-24(23(28)31)8-6-16(7-9-24)2-3-17-4-5-19-18(12-17)13-29-21(19)25-26-27-29;2*1-15(18-3-4-20(24-12-18)29-14-25-26-27-29)11-17-5-7-23(8-6-17)9-10-28(22(23)31)19-13-32-21(30)16(19)2;1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-16(7-9-22)2-3-17-4-5-18(12-23-17)28-14-24-25-26-28;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)22-9-16-14(2)25-18(10-23-16)29-12-24-26-27-29;1-13-9-18(29-12-23-26-27-29)25-24-16(13)10-22-15-3-5-21(6-4-15)7-8-28(20(21)31)17-11-32-19(30)14(17)2;1-13-16(11-31-18(13)29)27-7-6-20(19(27)30)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)28-12-24-25-26-28/h4-5,12,16H,2-3,6-11,13-14H2,1H3;2*3-4,12,14-15,17H,5-11,13H2,1-2H3;4-5,12,14,16H,2-3,6-11,13H2,1H3;10,12,15,22H,3-9,11H2,1-2H3;9,12,15,22H,3-8,10-11H2,1-2H3;9-10,12,14,21H,2-8,11H2,1H3/t;2*15-,17?,23?;;;;/m.10..../s1.
What are the key properties of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one?
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 3030.48 g/mol, XLogP of 12.90, 34 rotatable bonds, 3 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;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;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 159054867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).