10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium

C37H50N5O4Y- — CID 145476130

About 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium

10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium (PubChem CID 145476130) has the molecular formula C37H50N5O4Y- and a molecular weight of 717.74 g/mol. Its IUPAC name is 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium.

Molecular Properties

• Compound Name: 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium
• PubChem CID: 145476130
• Molecular Formula: C37H50N5O4Y-
• Molecular Weight: 717.74 g/mol
• Exact Mass: 717.29
• IUPAC Name: 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium
• SMILES: CNC.CO.COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC[N-]C3C1)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21.[Y]
• InChI: InChI=1S/C34H39N4O3.C2H7N.CH4O.Y/c1-41-23-10-12-24-26(15-23)27-16-34(27,33(40)37-17-22-8-5-13-36-28(22)18-37)19-38-29-14-21(32(35)39)9-11-25(29)30(31(24)38)20-6-3-2-4-7-20;1-3-2;1-2;/h9-12,14-15,20,22,27-28H,2-8,13,16-19H2,1H3,(H2,35,39);3H,1-2H3;2H,1H3;/q-1
• InChIKey: OWIUBOBIKBIDSK-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 123.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.74
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium?

The IUPAC name of 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium (CID 145476130) is 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium.

What is the SMILES notation for 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium?

The canonical SMILES for 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium is CNC.CO.COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC[N-]C3C1)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21.[Y].

What is the InChIKey of 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium?

The InChIKey is OWIUBOBIKBIDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N4O3.C2H7N.CH4O.Y/c1-41-23-10-12-24-26(15-23)27-16-34(27,33(40)37-17-22-8-5-13-36-28(22)18-37)19-38-29-14-21(32(35)39)9-11-25(29)30(31(24)38)20-6-3-2-4-7-20;1-3-2;1-2;/h9-12,14-15,20,22,27-28H,2-8,13,16-19H2,1H3,(H2,35,39);3H,1-2H3;2H,1H3;/q-1;;;.

What are the key properties of 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium?

10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium has a molecular weight of 717.74 g/mol, XLogP of 5.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium is sourced from PubChem (CID 145476130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).