13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene

C19H25ClFN5 — CID 167707156

IUPAC13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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)N(C)CC1CN(C)CC(C)N21
InChIInChI=1S/C19H25ClFN5/c1-10-7-23(4)8-13-9-24(5)18-14-17(15(20)11(2)16(18)21)25(6)12(3)22-19(14)26(10)13/h10,13H,3,7-9H2,1-2,4-6H3
InChIKeySVJIAZCYRRUUIO-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.91
Rot. Bonds

About 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-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 167707156) has the molecular formula C19H25ClFN5 and a molecular weight of 377.90 g/mol. Its IUPAC name is 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
PubChem CID167707156
Molecular FormulaC19H25ClFN5
Molecular Weight377.90 g/mol
Exact Mass377.18
IUPAC Name13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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)N(C)CC1CN(C)CC(C)N21
InChIInChI=1S/C19H25ClFN5/c1-10-7-23(4)8-13-9-24(5)18-14-17(15(20)11(2)16(18)21)25(6)12(3)22-19(14)26(10)13/h10,13H,3,7-9H2,1-2,4-6H3
InChIKeySVJIAZCYRRUUIO-UHFFFAOYSA-N
XLogP2.91
TPSA25.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene (CID 167707156) is 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-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)N(C)CC1CN(C)CC(C)N21.
What is the InChIKey of 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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 SVJIAZCYRRUUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN5/c1-10-7-23(4)8-13-9-24(5)18-14-17(15(20)11(2)16(18)21)25(6)12(3)22-19(14)26(10)13/h10,13H,3,7-9H2,1-2,4-6H3.
What are the key properties of 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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-3,5,9,12,15-pentamethyl-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 377.90 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-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 167707156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).