15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C48H47BrN14O4 — CID 161006218

IUPAC15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(Br)cc21.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C24H23N7O2.C18H16BrN5O2.C6H8N2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24;19-13-6-5-12-10-26-8-2-7-24-11-20-23-17(24)15-3-1-4-16(21-15)22-18(25)14(12)9-13;1-2-5(1)6-3-7-4-8-6/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32);1,3-6,9,11H,2,7-8,10H2,(H,21,22,25);3-5H,1-2H2,(H,7,8)
InChIKeyTWNNPIBLMFUKMK-UHFFFAOYSA-N
MW963.90 g/mol
LogP8.14
Rot. Bonds3

About 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 161006218) has the molecular formula C48H47BrN14O4 and a molecular weight of 963.90 g/mol. Its IUPAC name is 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID161006218
Molecular FormulaC48H47BrN14O4
Molecular Weight963.90 g/mol
Exact Mass962.31
IUPAC Name15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(Br)cc21.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C24H23N7O2.C18H16BrN5O2.C6H8N2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24;19-13-6-5-12-10-26-8-2-7-24-11-20-23-17(24)15-3-1-4-16(21-15)22-18(25)14(12)9-13;1-2-5(1)6-3-7-4-8-6/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32);1,3-6,9,11H,2,7-8,10H2,(H,21,22,25);3-5H,1-2H2,(H,7,8)
InChIKeyTWNNPIBLMFUKMK-UHFFFAOYSA-N
XLogP8.14
TPSA210.36 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.90
LogP ≤ 58.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Related Compounds

US11034671, Example 103
CID 155097358
(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 155097430
CID 157582270
CID 157582270
CID 157697930
CID 157697930
(7S)-15-bromo-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 158067254
6-bromo-2,3-dihydroisoindol-1-one;2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;carbanide;5-cyclopropyl-1H-imidazole;6-(4-cyclopropylimidazol-1-yl)-2,3-dihydroisoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 5-bromo-2-(bromomethyl)benzoate;methyl 5-bromo-2-methylbenzoate;tungsten
CID 159447672
2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]oxymethyl]-5-bromobenzoic acid;15-bromo-10-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 160479987
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one)
CID 160650368
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-imidazol-1-yl-3H-isoindol-1-one;1H-imidazole;bis(6-imidazol-1-yl-2,3-dihydroisoindol-1-one);methane
CID 160950491

Frequently Asked Questions

What is the IUPAC name of 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 161006218) is 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21.O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(Br)cc21.c1ncc(C2CC2)[nH]1.
What is the InChIKey of 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is TWNNPIBLMFUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.C18H16BrN5O2.C6H8N2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24;19-13-6-5-12-10-26-8-2-7-24-11-20-23-17(24)15-3-1-4-16(21-15)22-18(25)14(12)9-13;1-2-5(1)6-3-7-4-8-6/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32);1,3-6,9,11H,2,7-8,10H2,(H,21,22,25);3-5H,1-2H2,(H,7,8).
What are the key properties of 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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 963.90 g/mol, XLogP of 8.14, 3 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;5-cyclopropyl-1H-imidazole;15-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,19,24-pentazatetracyclo[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 161006218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).