N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C114H89F4N17O4S4 — CID 159367352

About N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 159367352) has the molecular formula C114H89F4N17O4S4 and a molecular weight of 1965.34 g/mol. Its IUPAC name is N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• PubChem CID: 159367352
• Molecular Formula: C114H89F4N17O4S4
• Molecular Weight: 1965.34 g/mol
• Exact Mass: 1963.61
• IUPAC Name: N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1ccnc12.CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1ccnc12.Cc1cn2c(n1)C1CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C2c2ccccc21.Cc1nnc2n1C1c3ccccc3C2CC1(C)C(=O)Nc1nc(-c2ccc(F)c3ccccc23)cs1
• InChI: InChI=1S/2C29H23FN4OS.C28H22FN5OS.C28H21FN4OS/c1-16-14-34-25-21-10-6-4-8-18(21)22(26(34)31-16)13-29(25,2)27(35)33-28-32-24(15-36-28)20-11-12-23(30)19-9-5-3-7-17(19)20;1-28-16-29(2,24(34-14-13-31-25(28)34)20-9-5-6-10-21(20)28)26(35)33-27-32-23(15-36-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-15-32-33-25-21-13-28(2,24(34(15)25)20-10-6-4-8-17(20)21)26(35)31-27-30-23(14-36-27)19-11-12-22(29)18-9-5-3-7-16(18)19;1-28(14-21-17-7-3-5-9-20(17)24(28)33-13-12-30-25(21)33)26(34)32-27-31-23(15-35-27)19-10-11-22(29)18-8-4-2-6-16(18)19/h3-12,14-15,22,25H,13H2,1-2H3,(H,32,33,35);3-15,24H,16H2,1-2H3,(H,32,33,35);3-12,14,21,24H,13H2,1-2H3,(H,30,31,35);2-13,15,21,24H,14H2,1H3,(H,31,32,34)
• InChIKey: LJHKMRXRIJKQCC-UHFFFAOYSA-N
• XLogP: 25.72
• TPSA: 252.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.34
LogP ≤ 5	25.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The IUPAC name of N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 159367352) is N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

What is the SMILES notation for N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The canonical SMILES for N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1ccnc12.CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1ccnc12.Cc1cn2c(n1)C1CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C2c2ccccc21.Cc1nnc2n1C1c3ccccc3C2CC1(C)C(=O)Nc1nc(-c2ccc(F)c3ccccc23)cs1.

What is the InChIKey of N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The InChIKey is LJHKMRXRIJKQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H23FN4OS.C28H22FN5OS.C28H21FN4OS/c1-16-14-34-25-21-10-6-4-8-18(21)22(26(34)31-16)13-29(25,2)27(35)33-28-32-24(15-36-28)20-11-12-23(30)19-9-5-3-7-17(19)20;1-28-16-29(2,24(34-14-13-31-25(28)34)20-9-5-6-10-21(20)28)26(35)33-27-32-23(15-36-27)19-11-12-22(30)18-8-4-3-7-17(18)19;1-15-32-33-25-21-13-28(2,24(34(15)25)20-10-6-4-8-17(20)21)26(35)31-27-30-23(14-36-27)19-11-12-22(29)18-9-5-3-7-16(18)19;1-28(14-21-17-7-3-5-9-20(17)24(28)33-13-12-30-25(21)33)26(34)32-27-31-23(15-35-27)19-10-11-22(29)18-8-4-2-6-16(18)19/h3-12,14-15,22,25H,13H2,1-2H3,(H,32,33,35);3-15,24H,16H2,1-2H3,(H,32,33,35);3-12,14,21,24H,13H2,1-2H3,(H,30,31,35);2-13,15,21,24H,14H2,1H3,(H,31,32,34).

What are the key properties of N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 1965.34 g/mol, XLogP of 25.72, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-11,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-10,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 159367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).