15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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

C148H130F6N30O12 — CID 158513214

About 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 158513214) has the molecular formula C148H130F6N30O12 and a molecular weight of 2634.85 g/mol. Its IUPAC name is 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 Name: 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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: 158513214
• Molecular Formula: C148H130F6N30O12
• Molecular Weight: 2634.85 g/mol
• Exact Mass: 2633.04
• IUPAC Name: 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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
• SMILES: Cc1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)ccn1.Cc1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)ccn1.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccnc(C4CC4)c3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccnc(F)c3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccncc3)cc21.[C-]#[N+]C(C)(C)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nccn1CCCCO2
• InChI: InChI=1S/C27H24FN5O2.2C25H22FN5O2.C24H19F2N5O2.C24H20FN5O2.C23H23N5O2/c28-21-16-24-20(15-19(21)18-8-9-29-23(14-18)17-6-7-17)27(34)32-25-5-3-4-22(31-25)26-30-10-12-33(26)11-1-2-13-35-24;2*1-16-13-17(7-8-27-16)18-14-19-22(15-20(18)26)33-12-3-2-10-31-11-9-28-24(31)21-5-4-6-23(29-21)30-25(19)32;25-18-14-20-17(13-16(18)15-6-7-27-21(26)12-15)24(32)30-22-5-3-4-19(29-22)23-28-8-10-31(23)9-1-2-11-33-20;25-19-15-21-18(14-17(19)16-6-8-26-9-7-16)24(31)29-22-5-3-4-20(28-22)23-27-10-12-30(23)11-1-2-13-32-21;1-23(2,24-3)16-9-10-19-17(15-16)22(29)27-20-8-6-7-18(26-20)21-25-11-13-28(21)12-4-5-14-30-19/h3-5,8-10,12,14-17H,1-2,6-7,11,13H2,(H,31,32,34);2*4-9,11,13-15H,2-3,10,12H2,1H3,(H,29,30,32);3-8,10,12-14H,1-2,9,11H2,(H,29,30,32);3-10,12,14-15H,1-2,11,13H2,(H,28,29,31);6-11,13,15H,4-5,12,14H2,1-2H3,(H,26,27,29)
• InChIKey: HLHVANFGDJVMSH-UHFFFAOYSA-N
• XLogP: 29.01
• TPSA: 483.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 7
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.85
LogP ≤ 5	29.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 158513214) is 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 Cc1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)ccn1.Cc1cc(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)ccn1.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccnc(C4CC4)c3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccnc(F)c3)cc21.O=C1Nc2cccc(n2)-c2nccn2CCCCOc2cc(F)c(-c3ccncc3)cc21.[C-]#[N+]C(C)(C)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nccn1CCCCO2.

What is the InChIKey of 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 HLHVANFGDJVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2.2C25H22FN5O2.C24H19F2N5O2.C24H20FN5O2.C23H23N5O2/c28-21-16-24-20(15-19(21)18-8-9-29-23(14-18)17-6-7-17)27(34)32-25-5-3-4-22(31-25)26-30-10-12-33(26)11-1-2-13-35-24;2*1-16-13-17(7-8-27-16)18-14-19-22(15-20(18)26)33-12-3-2-10-31-11-9-28-24(31)21-5-4-6-23(29-21)30-25(19)32;25-18-14-20-17(13-16(18)15-6-7-27-21(26)12-15)24(32)30-22-5-3-4-19(29-22)23-28-8-10-31(23)9-1-2-11-33-20;25-19-15-21-18(14-17(19)16-6-8-26-9-7-16)24(31)29-22-5-3-4-20(28-22)23-27-10-12-30(23)11-1-2-13-32-21;1-23(2,24-3)16-9-10-19-17(15-16)22(29)27-20-8-6-7-18(26-20)21-25-11-13-28(21)12-4-5-14-30-19/h3-5,8-10,12,14-17H,1-2,6-7,11,13H2,(H,31,32,34);2*4-9,11,13-15H,2-3,10,12H2,1H3,(H,29,30,32);3-8,10,12-14H,1-2,9,11H2,(H,29,30,32);3-10,12,14-15H,1-2,11,13H2,(H,28,29,31);6-11,13,15H,4-5,12,14H2,1-2H3,(H,26,27,29).

What are the key properties of 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 2634.85 g/mol, XLogP of 29.01, 7 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(2-cyclopropyl-4-pyridinyl)-14-fluoro-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-(2-fluoro-4-pyridinyl)-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;bis(14-fluoro-15-(2-methyl-4-pyridinyl)-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-pyridin-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-(2-isocyanopropan-2-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 158513214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).