bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)

C159H196N44O25 — CID 160574909

About bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)

bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one) (PubChem CID 160574909) has the molecular formula C159H196N44O25 and a molecular weight of 3123.60 g/mol. Its IUPAC name is bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one).

Molecular Properties

• Compound Name: bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)
• PubChem CID: 160574909
• Molecular Formula: C159H196N44O25
• Molecular Weight: 3123.60 g/mol
• Exact Mass: 3121.54
• IUPAC Name: bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)
• SMILES: CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O
• InChI: InChI=1S/C25H30N2O5.2C23H29N7O4.4C22H27N7O3/c1-15-17(4-5-19-20(15)13-31-23(19)29)12-26(3)18-6-8-25(9-7-18)10-11-27(24(25)30)21-14-32-22(28)16(21)2;2*1-15-19(13-34-21(15)32)29-10-9-23(22(29)33)7-5-17(6-8-23)28(2)18(12-31)16-3-4-20(24-11-16)30-14-25-26-27-30;2*1-15-19(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-18(11-23-16)29-14-24-25-26-29;2*1-15-18(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-19(23-11-16)29-14-24-25-26-29/h4-5,18H,6-14H2,1-3H3;2*3-4,11,14,17-18,31H,5-10,12-13H2,1-2H3;4*3-4,11,14,17H,5-10,12-13H2,1-2H3/t;2*17?,18-,23?;;;;/m.11..../s1
• InChIKey: RBACGRHWSJAFCC-UNRHJTBCSA-N
• XLogP: 11.04
• TPSA: 754.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 62
• Rotatable Bonds: 36
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3123.60
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)?

The IUPAC name of bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one) (CID 160574909) is bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one).

What is the SMILES notation for bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)?

The canonical SMILES for bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one) is CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)cn4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)Cc4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.CC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.

What is the InChIKey of bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)?

The InChIKey is RBACGRHWSJAFCC-UNRHJTBCSA-N. The full InChI is InChI=1S/C25H30N2O5.2C23H29N7O4.4C22H27N7O3/c1-15-17(4-5-19-20(15)13-31-23(19)29)12-26(3)18-6-8-25(9-7-18)10-11-27(24(25)30)21-14-32-22(28)16(21)2;2*1-15-19(13-34-21(15)32)29-10-9-23(22(29)33)7-5-17(6-8-23)28(2)18(12-31)16-3-4-20(24-11-16)30-14-25-26-27-30;2*1-15-19(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-18(11-23-16)29-14-24-25-26-29;2*1-15-18(13-32-20(15)30)28-10-9-22(21(28)31)7-5-17(6-8-22)27(2)12-16-3-4-19(23-11-16)29-14-24-25-26-29/h4-5,18H,6-14H2,1-3H3;2*3-4,11,14,17-18,31H,5-10,12-13H2,1-2H3;4*3-4,11,14,17H,5-10,12-13H2,1-2H3/t;2*17?,18-,23?;;;;/m.11..../s1.

What are the key properties of bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one)?

bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one) has a molecular weight of 3123.60 g/mol, XLogP of 11.04, 36 rotatable bonds, 2 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[[(1S)-2-hydroxy-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);8-[methyl-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[5-(tetrazol-1-yl)-2-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one);bis(2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[6-(tetrazol-1-yl)-3-pyridinyl]methyl]amino]-2-azaspiro[4.5]decan-1-one) is sourced from PubChem (CID 160574909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).