(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

C23H23FN8 — CID 67499566

IUPAC(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC[C@]12CCCCN1c1nc(-n3ccnc3-c3cccc(F)c3)ncc1-n1c(C)nnc12
InChIInChI=1S/C23H23FN8/c1-3-23-9-4-5-11-31(23)20-18(32-15(2)28-29-21(23)32)14-26-22(27-20)30-12-10-25-19(30)16-7-6-8-17(24)13-16/h6-8,10,12-14H,3-5,9,11H2,1-2H3/t23-/m1/s1
InChIKeyAYAJSQCUSVGFQH-HSZRJFAPSA-N
MW430.49 g/mol
LogP3.97
Rot. Bonds3

About (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (PubChem CID 67499566) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.

Molecular Properties

Compound Name(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
PubChem CID67499566
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC[C@]12CCCCN1c1nc(-n3ccnc3-c3cccc(F)c3)ncc1-n1c(C)nnc12
InChIInChI=1S/C23H23FN8/c1-3-23-9-4-5-11-31(23)20-18(32-15(2)28-29-21(23)32)14-26-22(27-20)30-12-10-25-19(30)16-7-6-8-17(24)13-16/h6-8,10,12-14H,3-5,9,11H2,1-2H3/t23-/m1/s1
InChIKeyAYAJSQCUSVGFQH-HSZRJFAPSA-N
XLogP3.97
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene with MolForge

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Related Compounds

1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
CID 66979625
(7R)-7-ethyl-15-[2-(3,4,5-trifluorophenyl)imidazol-1-yl]-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67122155
6a-ethyl-2-[2-(3-fluorophenyl)imidazol-1-yl]-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;2-(3-fluorophenyl)-1H-imidazole
CID 159887290
(7S)-7-ethyl-14-(2-pyridin-3-ylimidazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
CID 67498611
(6aS)-6a-ethyl-5-methyl-2-[2-(3-pyridin-3-ylphenyl)imidazol-1-yl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 58405346
(6aS)-2-[2-(3,5-difluorophenyl)imidazol-1-yl]-6a-ethyl-5-methanimidoyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-imine
CID 67122133
(4R)-7-[2-(3-fluorophenyl)imidazol-1-yl]-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423224
(7R)-7-ethyl-9-methyl-15-(2-phenylimidazol-1-yl)-2,4,5,9,12,14,16-heptazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499363
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1,4-dimethyl-5-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-f]pteridine
CID 67122137
6a-ethyl-5-methyl-2-(2-pyridin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 67260386
5-(3,3-difluorocyclobutyl)-4-ethyl-7-[2-(3-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979303
(4R)-5-(3,3-difluorocyclobutyl)-4-ethyl-7-[2-(3-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979300

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The IUPAC name of (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (CID 67499566) is (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.
What is the SMILES notation for (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The canonical SMILES for (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is CC[C@]12CCCCN1c1nc(-n3ccnc3-c3cccc(F)c3)ncc1-n1c(C)nnc12.
What is the InChIKey of (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The InChIKey is AYAJSQCUSVGFQH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23FN8/c1-3-23-9-4-5-11-31(23)20-18(32-15(2)28-29-21(23)32)14-26-22(27-20)30-12-10-25-19(30)16-7-6-8-17(24)13-16/h6-8,10,12-14H,3-5,9,11H2,1-2H3/t23-/m1/s1.
What are the key properties of (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene has a molecular weight of 430.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is sourced from PubChem (CID 67499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).