15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C145H141F6N33O14 — CID 158422411

IUPAC15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCCCn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.CN1CCn2ncc(-c3cc4c(cc3F)OCCCCn3ccnc3-c3cccc(n3)NC4=O)c2C1.Cc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.Cn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3=CCOCC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3CCOCC3)cc21
InChIInChI=1S/C26H26FN7O2.C25H25FN6O2.C24H25FN4O3.C24H23FN4O3.2C23H21FN6O2/c1-32-10-11-34-22(16-32)19(15-29-34)17-13-18-23(14-20(17)27)36-12-3-2-8-33-9-7-28-25(33)21-5-4-6-24(30-21)31-26(18)35;1-2-9-32-16-17(15-28-32)18-13-19-22(14-20(18)26)34-12-4-3-10-31-11-8-27-24(31)21-6-5-7-23(29-21)30-25(19)33;2*25-19-15-21-18(14-17(19)16-6-12-31-13-7-16)24(30)28-22-5-3-4-20(27-22)23-26-8-10-29(23)9-1-2-11-32-21;1-29-14-15(13-26-29)16-11-17-20(12-18(16)24)32-10-3-2-8-30-9-7-25-22(30)19-5-4-6-21(27-19)28-23(17)31;1-15-13-30(14-26-15)19-11-16-20(12-17(19)24)32-10-3-2-8-29-9-7-25-22(29)18-5-4-6-21(27-18)28-23(16)31/h4-7,9,13-15H,2-3,8,10-12,16H2,1H3,(H,30,31,35);5-8,11,13-16H,2-4,9-10,12H2,1H3,(H,29,30,33);3-5,8,10,14-16H,1-2,6-7,9,11-13H2,(H,27,28,30);3-6,8,10,14-15H,1-2,7,9,11-13H2,(H,27,28,30);2*4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31)
InChIKeyHAQLARHRJUBQAA-UHFFFAOYSA-N
MW2683.93 g/mol
LogP25.23
Rot. Bonds8

About 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 158422411) has the molecular formula C145H141F6N33O14 and a molecular weight of 2683.93 g/mol. Its IUPAC name is 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID158422411
Molecular FormulaC145H141F6N33O14
Molecular Weight2683.93 g/mol
Exact Mass2682.12
IUPAC Name15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCCCn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.CN1CCn2ncc(-c3cc4c(cc3F)OCCCCn3ccnc3-c3cccc(n3)NC4=O)c2C1.Cc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.Cn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3=CCOCC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3CCOCC3)cc21
InChIInChI=1S/C26H26FN7O2.C25H25FN6O2.C24H25FN4O3.C24H23FN4O3.2C23H21FN6O2/c1-32-10-11-34-22(16-32)19(15-29-34)17-13-18-23(14-20(17)27)36-12-3-2-8-33-9-7-28-25(33)21-5-4-6-24(30-21)31-26(18)35;1-2-9-32-16-17(15-28-32)18-13-19-22(14-20(18)26)34-12-4-3-10-31-11-8-27-24(31)21-6-5-7-23(29-21)30-25(19)33;2*25-19-15-21-18(14-17(19)16-6-12-31-13-7-16)24(30)28-22-5-3-4-20(27-22)23-26-8-10-29(23)9-1-2-11-32-21;1-29-14-15(13-26-29)16-11-17-20(12-18(16)24)32-10-3-2-8-30-9-7-25-22(30)19-5-4-6-21(27-19)28-23(17)31;1-15-13-30(14-26-15)19-11-16-20(12-17(19)24)32-10-3-2-8-29-9-7-25-22(29)18-5-4-6-21(27-18)28-23(16)31/h4-7,9,13-15H,2-3,8,10-12,16H2,1H3,(H,30,31,35);5-8,11,13-16H,2-4,9-10,12H2,1H3,(H,29,30,33);3-5,8,10,14-16H,1-2,6-7,9,11-13H2,(H,27,28,30);3-6,8,10,14-15H,1-2,7,9,11-13H2,(H,27,28,30);2*4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31)
InChIKeyHAQLARHRJUBQAA-UHFFFAOYSA-N
XLogP25.23
TPSA507.22 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds8
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.93
LogP ≤ 525.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 158422411) is 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is CCCn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.CN1CCn2ncc(-c3cc4c(cc3F)OCCCCn3ccnc3-c3cccc(n3)NC4=O)c2C1.Cc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.Cn1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3=CCOCC3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(C3CCOCC3)cc21.
What is the InChIKey of 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is HAQLARHRJUBQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2.C25H25FN6O2.C24H25FN4O3.C24H23FN4O3.2C23H21FN6O2/c1-32-10-11-34-22(16-32)19(15-29-34)17-13-18-23(14-20(17)27)36-12-3-2-8-33-9-7-28-25(33)21-5-4-6-24(30-21)31-26(18)35;1-2-9-32-16-17(15-28-32)18-13-19-22(14-20(18)26)34-12-4-3-10-31-11-8-27-24(31)21-6-5-7-23(29-21)30-25(19)33;2*25-19-15-21-18(14-17(19)16-6-12-31-13-7-16)24(30)28-22-5-3-4-20(27-22)23-26-8-10-29(23)9-1-2-11-32-21;1-29-14-15(13-26-29)16-11-17-20(12-18(16)24)32-10-3-2-8-30-9-7-25-22(30)19-5-4-6-21(27-19)28-23(17)31;1-15-13-30(14-26-15)19-11-16-20(12-17(19)24)32-10-3-2-8-29-9-7-25-22(29)18-5-4-6-21(27-18)28-23(16)31/h4-7,9,13-15H,2-3,8,10-12,16H2,1H3,(H,30,31,35);5-8,11,13-16H,2-4,9-10,12H2,1H3,(H,29,30,33);3-5,8,10,14-16H,1-2,6-7,9,11-13H2,(H,27,28,30);3-6,8,10,14-15H,1-2,7,9,11-13H2,(H,27,28,30);2*4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31).
What are the key properties of 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 2683.93 g/mol, XLogP of 25.23, 8 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;14-fluoro-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(oxan-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;14-fluoro-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 158422411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).