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

C23H21FN6O2 — CID 158422412

IUPAC14-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
SMILESCc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C23H21FN6O2/c1-15-13-30(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/h4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31)
InChIKeyBBWZWANMVLPZMW-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.00
Rot. Bonds1

About 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-(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 158422412) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID158422412
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name14-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
SMILESCc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C23H21FN6O2/c1-15-13-30(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/h4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31)
InChIKeyBBWZWANMVLPZMW-UHFFFAOYSA-N
XLogP4.00
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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

(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
(Z)-1-methyl-3-(2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)urea
CID 44540642
[2-(5-Fluoro-2-methylphenoxy)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56661822
N-[4-fluoro-3-[6-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314293
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158422412) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2cc3c(cc2F)OCCCCn2ccnc2-c2cccc(n2)NC3=O)cn1.
What is the InChIKey of 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?
The InChIKey is BBWZWANMVLPZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-15-13-30(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/h4-7,9,11-14H,2-3,8,10H2,1H3,(H,27,28,31).
What are the key properties of 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-(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 432.46 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158422412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).