(7S)-14-fluoro-7-methyl-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

C24H23FN6O2 — CID 158619706

IUPAC(7S)-14-fluoro-7-methyl-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
SMILESCc1cn(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C24H23FN6O2/c1-15-13-30(14-27-15)20-11-17-21(12-18(20)25)33-10-4-5-16(2)31-9-8-26-23(31)19-6-3-7-22(28-19)29-24(17)32/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,28,29,32)/t16-/m0/s1
InChIKeyGZSNOILEQTYNHU-INIZCTEOSA-N
MW446.49 g/mol
LogP4.56
Rot. Bonds1

About (7S)-14-fluoro-7-methyl-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

(7S)-14-fluoro-7-methyl-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 (PubChem CID 158619706) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is (7S)-14-fluoro-7-methyl-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.

Molecular Properties

Compound Name(7S)-14-fluoro-7-methyl-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
PubChem CID158619706
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name(7S)-14-fluoro-7-methyl-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
SMILESCc1cn(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C24H23FN6O2/c1-15-13-30(14-27-15)20-11-17-21(12-18(20)25)33-10-4-5-16(2)31-9-8-26-23(31)19-6-3-7-22(28-19)29-24(17)32/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,28,29,32)/t16-/m0/s1
InChIKeyGZSNOILEQTYNHU-INIZCTEOSA-N
XLogP4.56
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-14-fluoro-7-methyl-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 with MolForge

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Related Compounds

(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-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 142411827
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
[2-(5-Fluoro-2-methylphenoxy)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56661822
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
15-(4-Methylimidazol-1-yl)-11-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 138458386
15-Morpholin-4-yl-11-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 138458432
15-(1-Methylpyrazol-4-yl)-11-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 138458448

Frequently Asked Questions

What is the IUPAC name of (7S)-14-fluoro-7-methyl-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?
The IUPAC name of (7S)-14-fluoro-7-methyl-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 (CID 158619706) is (7S)-14-fluoro-7-methyl-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.
What is the SMILES notation for (7S)-14-fluoro-7-methyl-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?
The canonical SMILES for (7S)-14-fluoro-7-methyl-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 is Cc1cn(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)cn1.
What is the InChIKey of (7S)-14-fluoro-7-methyl-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?
The InChIKey is GZSNOILEQTYNHU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-15-13-30(14-27-15)20-11-17-21(12-18(20)25)33-10-4-5-16(2)31-9-8-26-23(31)19-6-3-7-22(28-19)29-24(17)32/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,28,29,32)/t16-/m0/s1.
What are the key properties of (7S)-14-fluoro-7-methyl-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?
(7S)-14-fluoro-7-methyl-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 has a molecular weight of 446.49 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-fluoro-7-methyl-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 is sourced from PubChem (CID 158619706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).