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

C152H183N49O21 — CID 157185362

IUPAC8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc5c(c4)CCc4nnnn4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N[C@@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3cnc(-n4cnnn4)cn3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C26H31N5O3.C22H27N7O3.C21H26N8O3.3C21H25N7O3.C20H24N8O3/c1-16(19-3-5-21-20(14-19)4-6-23-27-28-29-31(21)23)13-18-7-9-26(10-8-18)11-12-30(25(26)33)22-15-34-24(32)17(22)2;1-14(17-10-24-19(11-23-17)29-13-25-26-27-29)9-16-3-5-22(6-4-16)7-8-28(21(22)31)18-12-32-20(30)15(18)2;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)25-14(2)16-9-23-18(10-22-16)29-12-24-26-27-29;3*1-14-9-21(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;1-13-7-20(19(30)28(13)16-6-18(29)31-11-16)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)27-12-24-25-26-27/h3,5,14,16,18H,4,6-13,15H2,1-2H3;10-11,13-14,16H,3-9,12H2,1-2H3;9-10,12,14-15,25H,3-8,11H2,1-2H3;3*2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3;6,9-10,12-14,21H,2-5,7-8,11H2,1H3/t16-,18?,26?;14-,16?,22?;14-,15?,21?;3*14-,16?,21?;13-,14?,20?/m1001101/s1
InChIKeyAPBCHQHMXUIMAR-FFGOZHTKSA-N
MW3032.46 g/mol
LogP10.72
Rot. Bonds34

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

8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 157185362) has the molecular formula C152H183N49O21 and a molecular weight of 3032.46 g/mol. Its IUPAC name is 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 Name8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 CID157185362
Molecular FormulaC152H183N49O21
Molecular Weight3032.46 g/mol
Exact Mass3030.48
IUPAC Name8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc5c(c4)CCc4nnnn4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N[C@@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3cnc(-n4cnnn4)cn3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C26H31N5O3.C22H27N7O3.C21H26N8O3.3C21H25N7O3.C20H24N8O3/c1-16(19-3-5-21-20(14-19)4-6-23-27-28-29-31(21)23)13-18-7-9-26(10-8-18)11-12-30(25(26)33)22-15-34-24(32)17(22)2;1-14(17-10-24-19(11-23-17)29-13-25-26-27-29)9-16-3-5-22(6-4-16)7-8-28(21(22)31)18-12-32-20(30)15(18)2;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)25-14(2)16-9-23-18(10-22-16)29-12-24-26-27-29;3*1-14-9-21(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;1-13-7-20(19(30)28(13)16-6-18(29)31-11-16)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)27-12-24-25-26-27/h3,5,14,16,18H,4,6-13,15H2,1-2H3;10-11,13-14,16H,3-9,12H2,1-2H3;9-10,12,14-15,25H,3-8,11H2,1-2H3;3*2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3;6,9-10,12-14,21H,2-5,7-8,11H2,1H3/t16-,18?,26?;14-,16?,22?;14-,15?,21?;3*14-,16?,21?;13-,14?,20?/m1001101/s1
InChIKeyAPBCHQHMXUIMAR-FFGOZHTKSA-N
XLogP10.72
TPSA807.63 Ų
H-Bond Donors5
H-Bond Acceptors63
Rotatable Bonds34
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003032.46
LogP ≤ 510.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

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

Analyze 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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

5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870534
7-[[Methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 134505038
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-(5H-tetrazolo[5,1-a]isoindol-7-yl)propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-(5H-tetrazolo[5,1-a]isoindol-7-yl)propyl]-2-azaspiro[4.5]decan-1-one;3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2-azaspiro[4.5]decan-1-one;(3S)-3-methyl-2-(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-[[(1S)-1-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[5-(tetrazol-1-yl)-2-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
CID 157663920
bis(8-[(2S)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1R)-1-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 157713601
1,4-dimethylquinolin-2-one;1,5-dimethyltriazole;4-ethyloxane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylquinoline;7-methylquinoline;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine
CID 157768538
[4-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(1H-indol-5-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;5-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyridin-2-one
CID 157946727
N-[[(3S,3aS)-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
CID 158196390
CID 158270756
CID 158270756
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158287315
pentakis(carbon dioxide);N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
CID 158341562
8-[2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(3-methyl-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);8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[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-(5-methyl-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-[2-(3,4,5,6,12-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-10-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-(5H-tetrazolo[5,1-a]isoindol-8-ylmethylamino)-2-azaspiro[4.5]decan-1-one
CID 158534359
N-[2-(diethylamino)ethyl]-N-ethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 158546620

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 157185362) is 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 CC1=C(N2CCC3(CCC(C[C@@H](C)c4ccc5c(c4)CCc4nnnn4-5)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(C[C@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N[C@@H](C)c4cnc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@@H]1CC2(CCC(NCc3cnc(-n4cnnn4)cn3)CC2)C(=O)N1C1=CC(=O)OC1.C[C@H]1CC2(CCC(NCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.
What is the InChIKey of 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 APBCHQHMXUIMAR-FFGOZHTKSA-N. The full InChI is InChI=1S/C26H31N5O3.C22H27N7O3.C21H26N8O3.3C21H25N7O3.C20H24N8O3/c1-16(19-3-5-21-20(14-19)4-6-23-27-28-29-31(21)23)13-18-7-9-26(10-8-18)11-12-30(25(26)33)22-15-34-24(32)17(22)2;1-14(17-10-24-19(11-23-17)29-13-25-26-27-29)9-16-3-5-22(6-4-16)7-8-28(21(22)31)18-12-32-20(30)15(18)2;1-13-17(11-32-19(13)30)28-8-7-21(20(28)31)5-3-15(4-6-21)25-14(2)16-9-23-18(10-22-16)29-12-24-26-27-29;3*1-14-9-21(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;1-13-7-20(19(30)28(13)16-6-18(29)31-11-16)4-2-14(3-5-20)21-8-15-9-23-17(10-22-15)27-12-24-25-26-27/h3,5,14,16,18H,4,6-13,15H2,1-2H3;10-11,13-14,16H,3-9,12H2,1-2H3;9-10,12,14-15,25H,3-8,11H2,1-2H3;3*2-3,8,11,13-14,16,22H,4-7,9-10,12H2,1H3;6,9-10,12-14,21H,2-5,7-8,11H2,1H3/t16-,18?,26?;14-,16?,22?;14-,15?,21?;3*14-,16?,21?;13-,14?,20?/m1001101/s1.
What are the key properties of 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 3032.46 g/mol, XLogP of 10.72, 34 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(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-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((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);(3S)-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 157185362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).