2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

C37H45N7O4 — CID 70647033

About 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (PubChem CID 70647033) has the molecular formula C37H45N7O4 and a molecular weight of 651.81 g/mol. Its IUPAC name is 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
• PubChem CID: 70647033
• Molecular Formula: C37H45N7O4
• Molecular Weight: 651.81 g/mol
• Exact Mass: 651.35
• IUPAC Name: 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
• SMILES: CC(C)c1nnc(C2(C[C@@H](C)NCC(=O)N3C(C#N)C[C@@H]4C[C@@H]43)c3ccc(C(=O)N(C)C)cc3CCc3cc(C(=O)N(C)C)ccc32)o1
• InChI: InChI=1S/C37H45N7O4/c1-21(2)33-40-41-36(48-33)37(18-22(3)39-20-32(45)44-28(19-38)16-27-17-31(27)44)29-12-10-25(34(46)42(4)5)14-23(29)8-9-24-15-26(11-13-30(24)37)35(47)43(6)7/h10-15,21-22,27-28,31,39H,8-9,16-18,20H2,1-7H3/t22-,27-,28?,31+/m1/s1
• InChIKey: CFORXXSZRLDNAP-WYPWLYFUSA-N
• XLogP: 3.91
• TPSA: 135.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.81
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The IUPAC name of 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (CID 70647033) is 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.

What is the SMILES notation for 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The canonical SMILES for 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is CC(C)c1nnc(C2(C[C@@H](C)NCC(=O)N3C(C#N)C[C@@H]4C[C@@H]43)c3ccc(C(=O)N(C)C)cc3CCc3cc(C(=O)N(C)C)ccc32)o1.

What is the InChIKey of 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The InChIKey is CFORXXSZRLDNAP-WYPWLYFUSA-N. The full InChI is InChI=1S/C37H45N7O4/c1-21(2)33-40-41-36(48-33)37(18-22(3)39-20-32(45)44-28(19-38)16-27-17-31(27)44)29-12-10-25(34(46)42(4)5)14-23(29)8-9-24-15-26(11-13-30(24)37)35(47)43(6)7/h10-15,21-22,27-28,31,39H,8-9,16-18,20H2,1-7H3/t22-,27-,28?,31+/m1/s1.

What are the key properties of 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide has a molecular weight of 651.81 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-[[2-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is sourced from PubChem (CID 70647033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).