N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C110H84F4N20O5S3 — CID 159508301

IUPACN-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1c2n[nH]c1=O.CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1cnnc12.CC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2c3ccccc3C1n1ccnc12.CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1cnnc12
InChIInChI=1S/C28H22FN5OS.C28H22FN5O.C27H20FN5O2S.C27H20FN5OS/c1-27-14-28(2,23(34-15-30-33-24(27)34)19-9-5-6-10-20(19)27)25(35)32-26-31-22(13-36-26)18-11-12-21(29)17-8-4-3-7-16(17)18;1-28(14-21-17-7-3-5-9-20(17)24(28)34-13-12-30-25(21)34)26(35)33-27-31-15-23(32-27)19-10-11-22(29)18-8-4-2-6-16(18)19;1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17;1-27(12-20-16-7-3-5-9-19(16)23(27)33-14-29-32-24(20)33)25(34)31-26-30-22(13-35-26)18-10-11-21(28)17-8-4-2-6-15(17)18/h3-13,15,23H,14H2,1-2H3,(H,31,32,35);2-13,15,21,24H,14H2,1H3,(H2,31,32,33,35);2-11,13,19,22H,12H2,1H3,(H,32,35)(H,29,30,34);2-11,13-14,20,23H,12H2,1H3,(H,30,31,34)
InChIKeyMAGVWODZJXOQEF-UHFFFAOYSA-N
MW1938.21 g/mol
LogP22.45
Rot. Bonds12

About N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 159508301) has the molecular formula C110H84F4N20O5S3 and a molecular weight of 1938.21 g/mol. Its IUPAC name is N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
PubChem CID159508301
Molecular FormulaC110H84F4N20O5S3
Molecular Weight1938.21 g/mol
Exact Mass1936.60
IUPAC NameN-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1c2n[nH]c1=O.CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1cnnc12.CC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2c3ccccc3C1n1ccnc12.CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1cnnc12
InChIInChI=1S/C28H22FN5OS.C28H22FN5O.C27H20FN5O2S.C27H20FN5OS/c1-27-14-28(2,23(34-15-30-33-24(27)34)19-9-5-6-10-20(19)27)25(35)32-26-31-22(13-36-26)18-11-12-21(29)17-8-4-3-7-16(17)18;1-28(14-21-17-7-3-5-9-20(17)24(28)34-13-12-30-25(21)34)26(35)33-27-31-15-23(32-27)19-10-11-22(29)18-8-4-2-6-16(18)19;1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17;1-27(12-20-16-7-3-5-9-19(16)23(27)33-14-29-32-24(20)33)25(34)31-26-30-22(13-35-26)18-10-11-21(28)17-8-4-2-6-15(17)18/h3-13,15,23H,14H2,1-2H3,(H,31,32,35);2-13,15,21,24H,14H2,1H3,(H2,31,32,33,35);2-11,13,19,22H,12H2,1H3,(H,32,35)(H,29,30,34);2-11,13-14,20,23H,12H2,1H3,(H,30,31,34)
InChIKeyMAGVWODZJXOQEF-UHFFFAOYSA-N
XLogP22.45
TPSA313.67 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001938.21
LogP ≤ 522.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The IUPAC name of N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 159508301) is N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.
What is the SMILES notation for N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The canonical SMILES for N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[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)CC2c3ccccc3C1n1c2n[nH]c1=O.CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1n1cnnc12.CC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2c3ccccc3C1n1ccnc12.CC12CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C(c3ccccc31)n1cnnc12.
What is the InChIKey of N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The InChIKey is MAGVWODZJXOQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5OS.C28H22FN5O.C27H20FN5O2S.C27H20FN5OS/c1-27-14-28(2,23(34-15-30-33-24(27)34)19-9-5-6-10-20(19)27)25(35)32-26-31-22(13-36-26)18-11-12-21(29)17-8-4-3-7-16(17)18;1-28(14-21-17-7-3-5-9-20(17)24(28)34-13-12-30-25(21)34)26(35)33-27-31-15-23(32-27)19-10-11-22(29)18-8-4-2-6-16(18)19;1-27(12-19-15-7-3-5-9-18(15)22(27)33-23(19)31-32-26(33)35)24(34)30-25-29-21(13-36-25)17-10-11-20(28)16-8-4-2-6-14(16)17;1-27(12-20-16-7-3-5-9-19(16)23(27)33-14-29-32-24(20)33)25(34)31-26-30-22(13-35-26)18-10-11-21(28)17-8-4-2-6-15(17)18/h3-13,15,23H,14H2,1-2H3,(H,31,32,35);2-13,15,21,24H,14H2,1H3,(H2,31,32,33,35);2-11,13,19,22H,12H2,1H3,(H,32,35)(H,29,30,34);2-11,13-14,20,23H,12H2,1H3,(H,30,31,34).
What are the key properties of N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 1938.21 g/mol, XLogP of 22.45, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-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-9,11,12-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-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 159508301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).