11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene

C22H25FN4 — CID 71007950

IUPAC11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene
SMILESCc1cnc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCCC12
InChIInChI=1S/C22H25FN4/c1-15-14-24-22-21(25-15)20-18-4-2-3-11-26(18)12-10-19(20)27(22)13-9-16-5-7-17(23)8-6-16/h5-8,14,18H,2-4,9-13H2,1H3
InChIKeyXCUKDILRVGZBMA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.20
Rot. Bonds3

About 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene

11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene (PubChem CID 71007950) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene.

Molecular Properties

Compound Name11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene
PubChem CID71007950
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene
SMILESCc1cnc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCCC12
InChIInChI=1S/C22H25FN4/c1-15-14-24-22-21(25-15)20-18-4-2-3-11-26(18)12-10-19(20)27(22)13-9-16-5-7-17(23)8-6-16/h5-8,14,18H,2-4,9-13H2,1H3
InChIKeyXCUKDILRVGZBMA-UHFFFAOYSA-N
XLogP4.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene?
The IUPAC name of 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene (CID 71007950) is 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene.
What is the SMILES notation for 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene?
The canonical SMILES for 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene is Cc1cnc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCCC12.
What is the InChIKey of 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene?
The InChIKey is XCUKDILRVGZBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-14-24-22-21(25-15)20-18-4-2-3-11-26(18)12-10-19(20)27(22)13-9-16-5-7-17(23)8-6-16/h5-8,14,18H,2-4,9-13H2,1H3.
What are the key properties of 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene?
11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene has a molecular weight of 364.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(4-fluorophenyl)ethyl]-15-methyl-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene is sourced from PubChem (CID 71007950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).