1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]

C210H230N25O10+ — CID 158887485

IUPAC1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESC1=Cc2nc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc2C1.C1=Cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2C1.C1=NCc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc21.C[n+]1c[nH]c2cc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc21.Cn1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2n1.c1cc2c(cc1-c1ccc3cncn3c1)CC1(CCN(C3CCC3)CC1)O2.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2c1.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2n1.c1cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2o1
InChIInChI=1S/C24H27N3O.2C24H26N2O.C23H26N4O.4C23H25N3O.C23H24N2O2/c1-26-16-19-6-5-18(14-22(19)25-26)17-7-8-23-20(13-17)15-24(28-23)9-11-27(12-10-24)21-3-2-4-21;1-3-18-14-20(16-25-22(18)6-1)17-7-8-23-19(13-17)15-24(27-23)9-11-26(12-10-24)21-4-2-5-21;1-3-21(4-1)25-13-10-24(11-14-25)16-20-15-18(7-9-23(20)27-24)19-6-8-22-5-2-12-26(22)17-19;1-26-15-25-20-12-18(14-24-22(20)26)16-5-6-21-17(11-16)13-23(28-21)7-9-27(10-8-23)19-3-2-4-19;1-3-18(4-1)26-11-9-23(10-12-26)14-17-13-16(7-8-22(17)27-23)21-15-24-19-5-2-6-20(19)25-21;1-2-20(3-1)25-12-9-23(10-13-25)15-19-14-17(5-7-22(19)27-23)18-4-6-21-8-11-24-26(21)16-18;1-2-20(3-1)25-10-8-23(9-11-25)13-19-12-17(5-7-22(19)27-23)18-4-6-21-14-24-16-26(21)15-18;1-2-20(3-1)26-8-6-23(7-9-26)12-17-10-16(4-5-22(17)27-23)18-11-19-13-24-15-21(19)25-14-18;1-2-19(3-1)25-9-7-23(8-10-25)14-17-12-16(4-5-21(17)27-23)18-13-22-20(24-15-18)6-11-26-22/h5-8,13-14,16,21H,2-4,9-12,15H2,1H3;1,6-8,13-14,16,21H,2-5,9-12,15H2;2,5-9,12,15,17,21H,1,3-4,10-11,13-14,16H2;5-6,11-12,14-15,19H,2-4,7-10,13H2,1H3;2,6-8,13,15,18H,1,3-5,9-12,14H2;4-8,11,14,16,20H,1-3,9-10,12-13,15H2;4-7,12,14-16,20H,1-3,8-11,13H2;4-5,10-11,13-14,20H,1-3,6-9,12,15H2;4-6,11-13,15,19H,1-3,7-10,14H2/p+1
InChIKeyDAQPOEYOZANLHC-UHFFFAOYSA-O
MW3264.31 g/mol
LogP39.01
Rot. Bonds18

About 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]

1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 158887485) has the molecular formula C210H230N25O10+ and a molecular weight of 3264.31 g/mol. Its IUPAC name is 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID158887485
Molecular FormulaC210H230N25O10+
Molecular Weight3264.31 g/mol
Exact Mass3261.83
IUPAC Name1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESC1=Cc2nc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc2C1.C1=Cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2C1.C1=NCc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc21.C[n+]1c[nH]c2cc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc21.Cn1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2n1.c1cc2c(cc1-c1ccc3cncn3c1)CC1(CCN(C3CCC3)CC1)O2.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2c1.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2n1.c1cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2o1
InChIInChI=1S/C24H27N3O.2C24H26N2O.C23H26N4O.4C23H25N3O.C23H24N2O2/c1-26-16-19-6-5-18(14-22(19)25-26)17-7-8-23-20(13-17)15-24(28-23)9-11-27(12-10-24)21-3-2-4-21;1-3-18-14-20(16-25-22(18)6-1)17-7-8-23-19(13-17)15-24(27-23)9-11-26(12-10-24)21-4-2-5-21;1-3-21(4-1)25-13-10-24(11-14-25)16-20-15-18(7-9-23(20)27-24)19-6-8-22-5-2-12-26(22)17-19;1-26-15-25-20-12-18(14-24-22(20)26)16-5-6-21-17(11-16)13-23(28-21)7-9-27(10-8-23)19-3-2-4-19;1-3-18(4-1)26-11-9-23(10-12-26)14-17-13-16(7-8-22(17)27-23)21-15-24-19-5-2-6-20(19)25-21;1-2-20(3-1)25-12-9-23(10-13-25)15-19-14-17(5-7-22(19)27-23)18-4-6-21-8-11-24-26(21)16-18;1-2-20(3-1)25-10-8-23(9-11-25)13-19-12-17(5-7-22(19)27-23)18-4-6-21-14-24-16-26(21)15-18;1-2-20(3-1)26-8-6-23(7-9-26)12-17-10-16(4-5-22(17)27-23)18-11-19-13-24-15-21(19)25-14-18;1-2-19(3-1)25-9-7-23(8-10-25)14-17-12-16(4-5-21(17)27-23)18-13-22-20(24-15-18)6-11-26-22/h5-8,13-14,16,21H,2-4,9-12,15H2,1H3;1,6-8,13-14,16,21H,2-5,9-12,15H2;2,5-9,12,15,17,21H,1,3-4,10-11,13-14,16H2;5-6,11-12,14-15,19H,2-4,7-10,13H2,1H3;2,6-8,13,15,18H,1,3-5,9-12,14H2;4-8,11,14,16,20H,1-3,9-10,12-13,15H2;4-7,12,14-16,20H,1-3,8-11,13H2;4-5,10-11,13-14,20H,1-3,6-9,12,15H2;4-6,11-13,15,19H,1-3,7-10,14H2/p+1
InChIKeyDAQPOEYOZANLHC-UHFFFAOYSA-O
XLogP39.01
TPSA291.57 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms245
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003264.31
LogP ≤ 539.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] (CID 158887485) is 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] is C1=Cc2nc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc2C1.C1=Cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2C1.C1=NCc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc21.C[n+]1c[nH]c2cc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cnc21.Cn1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2n1.c1cc2c(cc1-c1ccc3cncn3c1)CC1(CCN(C3CCC3)CC1)O2.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2c1.c1cc2ccc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cn2n1.c1cc2ncc(-c3ccc4c(c3)CC3(CCN(C5CCC5)CC3)O4)cc2o1.
What is the InChIKey of 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is DAQPOEYOZANLHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N3O.2C24H26N2O.C23H26N4O.4C23H25N3O.C23H24N2O2/c1-26-16-19-6-5-18(14-22(19)25-26)17-7-8-23-20(13-17)15-24(28-23)9-11-27(12-10-24)21-3-2-4-21;1-3-18-14-20(16-25-22(18)6-1)17-7-8-23-19(13-17)15-24(27-23)9-11-26(12-10-24)21-4-2-5-21;1-3-21(4-1)25-13-10-24(11-14-25)16-20-15-18(7-9-23(20)27-24)19-6-8-22-5-2-12-26(22)17-19;1-26-15-25-20-12-18(14-24-22(20)26)16-5-6-21-17(11-16)13-23(28-21)7-9-27(10-8-23)19-3-2-4-19;1-3-18(4-1)26-11-9-23(10-12-26)14-17-13-16(7-8-22(17)27-23)21-15-24-19-5-2-6-20(19)25-21;1-2-20(3-1)25-12-9-23(10-13-25)15-19-14-17(5-7-22(19)27-23)18-4-6-21-8-11-24-26(21)16-18;1-2-20(3-1)25-10-8-23(9-11-25)13-19-12-17(5-7-22(19)27-23)18-4-6-21-14-24-16-26(21)15-18;1-2-20(3-1)26-8-6-23(7-9-26)12-17-10-16(4-5-22(17)27-23)18-11-19-13-24-15-21(19)25-14-18;1-2-19(3-1)25-9-7-23(8-10-25)14-17-12-16(4-5-21(17)27-23)18-13-22-20(24-15-18)6-11-26-22/h5-8,13-14,16,21H,2-4,9-12,15H2,1H3;1,6-8,13-14,16,21H,2-5,9-12,15H2;2,5-9,12,15,17,21H,1,3-4,10-11,13-14,16H2;5-6,11-12,14-15,19H,2-4,7-10,13H2,1H3;2,6-8,13,15,18H,1,3-5,9-12,14H2;4-8,11,14,16,20H,1-3,9-10,12-13,15H2;4-7,12,14-16,20H,1-3,8-11,13H2;4-5,10-11,13-14,20H,1-3,6-9,12,15H2;4-6,11-13,15,19H,1-3,7-10,14H2/p+1.
What are the key properties of 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]?
1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 3264.31 g/mol, XLogP of 39.01, 18 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 158887485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).