13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene

C17H21ClFN5 — CID 167639317

IUPAC13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
SMILESC=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)NCC1CN(C)CCN21
InChIInChI=1S/C17H21ClFN5/c1-9-13(18)16-12-15(14(9)19)20-7-11-8-22(3)5-6-24(11)17(12)21-10(2)23(16)4/h11,20H,2,5-8H2,1,3-4H3
InChIKeyCVHGERGLLHVFSX-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.50
Rot. Bonds

About 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene

13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene (PubChem CID 167639317) has the molecular formula C17H21ClFN5 and a molecular weight of 349.84 g/mol. Its IUPAC name is 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene.

Molecular Properties

Compound Name13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
PubChem CID167639317
Molecular FormulaC17H21ClFN5
Molecular Weight349.84 g/mol
Exact Mass349.15
IUPAC Name13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
SMILESC=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)NCC1CN(C)CCN21
InChIInChI=1S/C17H21ClFN5/c1-9-13(18)16-12-15(14(9)19)20-7-11-8-22(3)5-6-24(11)17(12)21-10(2)23(16)4/h11,20H,2,5-8H2,1,3-4H3
InChIKeyCVHGERGLLHVFSX-UHFFFAOYSA-N
XLogP2.50
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The IUPAC name of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene (CID 167639317) is 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene.
What is the SMILES notation for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The canonical SMILES for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene is C=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)NCC1CN(C)CCN21.
What is the InChIKey of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The InChIKey is CVHGERGLLHVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5/c1-9-13(18)16-12-15(14(9)19)20-7-11-8-22(3)5-6-24(11)17(12)21-10(2)23(16)4/h11,20H,2,5-8H2,1,3-4H3.
What are the key properties of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene has a molecular weight of 349.84 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene is sourced from PubChem (CID 167639317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).