1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)

C181H141FN24O6S — CID 159898694

About 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)

1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) (PubChem CID 159898694) has the molecular formula C181H141FN24O6S and a molecular weight of 2799.35 g/mol. Its IUPAC name is 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide).

Molecular Properties

• Compound Name: 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
• PubChem CID: 159898694
• Molecular Formula: C181H141FN24O6S
• Molecular Weight: 2799.35 g/mol
• Exact Mass: 2797.12
• IUPAC Name: 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
• SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1ncccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1ncccc12
• InChI: InChI=1S/C31H23N5O.C30H22FN3OS.4C30H24N4O/c1-30(17-31(18-32)24-14-5-4-11-22(24)26(30)23-13-7-15-33-27(23)31)28(37)36-29-34-16-25(35-29)21-12-6-9-19-8-2-3-10-20(19)21;1-30(15-23-18-8-3-5-10-21(18)26(30)22-11-6-14-32-27(22)23)28(35)34-29-33-25(16-36-29)20-12-13-24(31)19-9-4-2-7-17(19)20;2*1-30(16-24-20-11-4-5-12-22(20)26(30)23-14-7-15-31-27(23)24)28(35)34-29-32-17-25(33-29)21-13-6-9-18-8-2-3-10-19(18)21;2*1-30(16-24-20-11-4-5-12-22(20)26(30)27-23(24)14-7-15-31-27)28(35)34-29-32-17-25(33-29)21-13-6-9-18-8-2-3-10-19(18)21/h2-16,26H,17H2,1H3,(H2,34,35,36,37);2-14,16,23,26H,15H2,1H3,(H,33,34,35);4*2-15,17,24,26H,16H2,1H3,(H2,32,33,34,35)
• InChIKey: NVRDTFXOXQEZFJ-UHFFFAOYSA-N
• XLogP: 38.06
• TPSA: 432.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2799.35
LogP ≤ 5	38.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?

The IUPAC name of 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) (CID 159898694) is 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide).

What is the SMILES notation for 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?

The canonical SMILES for 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) is CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1ncccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2c3ccccc3C1c1ncccc12.

What is the InChIKey of 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?

The InChIKey is NVRDTFXOXQEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O.C30H22FN3OS.4C30H24N4O/c1-30(17-31(18-32)24-14-5-4-11-22(24)26(30)23-13-7-15-33-27(23)31)28(37)36-29-34-16-25(35-29)21-12-6-9-19-8-2-3-10-20(19)21;1-30(15-23-18-8-3-5-10-21(18)26(30)22-11-6-14-32-27(22)23)28(35)34-29-33-25(16-36-29)20-12-13-24(31)19-9-4-2-7-17(19)20;2*1-30(16-24-20-11-4-5-12-22(20)26(30)23-14-7-15-31-27(23)24)28(35)34-29-32-17-25(33-29)21-13-6-9-18-8-2-3-10-19(18)21;2*1-30(16-24-20-11-4-5-12-22(20)26(30)27-23(24)14-7-15-31-27)28(35)34-29-32-17-25(33-29)21-13-6-9-18-8-2-3-10-19(18)21/h2-16,26H,17H2,1H3,(H2,34,35,36,37);2-14,16,23,26H,15H2,1H3,(H,33,34,35);4*2-15,17,24,26H,16H2,1H3,(H2,32,33,34,35).

What are the key properties of 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?

1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) has a molecular weight of 2799.35 g/mol, XLogP of 38.06, 18 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) is sourced from PubChem (CID 159898694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).