(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile

C22H18FN7O — CID 118003288

IUPAC(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile
SMILESC[C@@H]1c2cc(F)ccc2C(=O)N(C)Cc2c(c(C#N)nn2C)-c2cnc3[nH]cc1c3n2
InChIInChI=1S/C22H18FN7O/c1-11-14-6-12(23)4-5-13(14)22(31)29(2)10-18-19(16(7-24)28-30(18)3)17-9-26-21-20(27-17)15(11)8-25-21/h4-6,8-9,11H,10H2,1-3H3,(H,25,26)/t11-/m1/s1
InChIKeyNONWSBMTTCADHW-LLVKDONJSA-N
MW415.43 g/mol
LogP3.11
Rot. Bonds

About (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile

(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile (PubChem CID 118003288) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile.

Molecular Properties

Compound Name(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile
PubChem CID118003288
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC Name(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile
SMILESC[C@@H]1c2cc(F)ccc2C(=O)N(C)Cc2c(c(C#N)nn2C)-c2cnc3[nH]cc1c3n2
InChIInChI=1S/C22H18FN7O/c1-11-14-6-12(23)4-5-13(14)22(31)29(2)10-18-19(16(7-24)28-30(18)3)17-9-26-21-20(27-17)15(11)8-25-21/h4-6,8-9,11H,10H2,1-3H3,(H,25,26)/t11-/m1/s1
InChIKeyNONWSBMTTCADHW-LLVKDONJSA-N
XLogP3.11
TPSA103.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile 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 (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile?
The IUPAC name of (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile (CID 118003288) is (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile.
What is the SMILES notation for (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile?
The canonical SMILES for (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile is C[C@@H]1c2cc(F)ccc2C(=O)N(C)Cc2c(c(C#N)nn2C)-c2cnc3[nH]cc1c3n2.
What is the InChIKey of (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile?
The InChIKey is NONWSBMTTCADHW-LLVKDONJSA-N. The full InChI is InChI=1S/C22H18FN7O/c1-11-14-6-12(23)4-5-13(14)22(31)29(2)10-18-19(16(7-24)28-30(18)3)17-9-26-21-20(27-17)15(11)8-25-21/h4-6,8-9,11H,10H2,1-3H3,(H,25,26)/t11-/m1/s1.
What are the key properties of (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile?
(16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile has a molecular weight of 415.43 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-13-fluoro-5,8,16-trimethyl-9-oxo-4,5,8,19,21,23-hexazapentacyclo[15.5.2.02,6.010,15.020,24]tetracosa-1(22),2(6),3,10(15),11,13,17,20,23-nonaene-3-carbonitrile is sourced from PubChem (CID 118003288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).