(1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C119H166N12O9 — CID 157236436

About (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

(1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 157236436) has the molecular formula C119H166N12O9 and a molecular weight of 1908.71 g/mol. Its IUPAC name is (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

• Compound Name: (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• PubChem CID: 157236436
• Molecular Formula: C119H166N12O9
• Molecular Weight: 1908.71 g/mol
• Exact Mass: 1907.29
• IUPAC Name: (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
• SMILES: CC(C)=CCN1CC[C@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1C2C.COCCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C.C[C@H]1C2C(=O)c3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1.C[C@H]1[C@H]2Cc3ccc(C(N)=O)c(O)c3[C@]1(C)CCN2CC1CCC1.C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC(C)(C)C.NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3
• InChI: InChI=1S/C22H30N2O.C20H28N2O2.C20H30N2O.C20H28N2O.C19H24N2O2.C18H26N2O2/c23-21(25)17-8-7-16-13-20-18-6-1-2-9-22(18,19(16)12-17)10-11-24(20)14-15-4-3-5-15;1-12-16-10-14-6-7-15(19(21)24)18(23)17(14)20(12,2)8-9-22(16)11-13-4-3-5-13;1-13-17-11-14-6-7-15(18(21)23)10-16(14)20(13,5)8-9-22(17)12-19(2,3)4;1-13(2)7-9-22-10-8-20(4)14(3)18(22)12-15-5-6-16(19(21)23)11-17(15)20;1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12;1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h7-8,12,15,18,20H,1-6,9-11,13-14H2,(H2,23,25);6-7,12-13,16,23H,3-5,8-11H2,1-2H3,(H2,21,24);6-7,10,13,17H,8-9,11-12H2,1-5H3,(H2,21,23);5-7,11,14,18H,8-10,12H2,1-4H3,(H2,21,23);5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23);4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t18?,20-,22-;12-,16+,20+;13-,17+,20+;14?,18-,20+;11-,16?,19-;12-,16+,18+/m100100/s1
• InChIKey: AURPEZMCGJFNIA-VKSRPCMPSA-N
• XLogP: 17.41
• TPSA: 324.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.71
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The IUPAC name of (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 157236436) is (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

What is the SMILES notation for (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The canonical SMILES for (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is CC(C)=CCN1CC[C@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1C2C.COCCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C.C[C@H]1C2C(=O)c3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1.C[C@H]1[C@H]2Cc3ccc(C(N)=O)c(O)c3[C@]1(C)CCN2CC1CCC1.C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC(C)(C)C.NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3.

What is the InChIKey of (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

The InChIKey is AURPEZMCGJFNIA-VKSRPCMPSA-N. The full InChI is InChI=1S/C22H30N2O.C20H28N2O2.C20H30N2O.C20H28N2O.C19H24N2O2.C18H26N2O2/c23-21(25)17-8-7-16-13-20-18-6-1-2-9-22(18,19(16)12-17)10-11-24(20)14-15-4-3-5-15;1-12-16-10-14-6-7-15(19(21)24)18(23)17(14)20(12,2)8-9-22(16)11-13-4-3-5-13;1-13-17-11-14-6-7-15(18(21)23)10-16(14)20(13,5)8-9-22(17)12-19(2,3)4;1-13(2)7-9-22-10-8-20(4)14(3)18(22)12-15-5-6-16(19(21)23)11-17(15)20;1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12;1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h7-8,12,15,18,20H,1-6,9-11,13-14H2,(H2,23,25);6-7,12-13,16,23H,3-5,8-11H2,1-2H3,(H2,21,24);6-7,10,13,17H,8-9,11-12H2,1-5H3,(H2,21,23);5-7,11,14,18H,8-10,12H2,1-4H3,(H2,21,23);5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23);4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t18?,20-,22-;12-,16+,20+;13-,17+,20+;14?,18-,20+;11-,16?,19-;12-,16+,18+/m100100/s1.

What are the key properties of (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?

(1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 1908.71 g/mol, XLogP of 17.41, 18 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(cyclobutylmethyl)-3-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1S,9R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2,2-dimethylpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-(2-methoxyethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 157236436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).