(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one

C20H21FN6O — CID 149404401

IUPAC(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one
SMILESC[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1
InChIInChI=1S/C20H21FN6O/c1-12-4-5-15-14(9-13(21)10-22-15)16-3-2-8-26(16)19-7-6-18-23-11-17(20(28)24-12)27(18)25-19/h6-7,9-12,16H,2-5,8H2,1H3,(H,24,28)/t12-,16-/m1/s1
InChIKeyYPZPYEQPWZIIDI-MLGOLLRUSA-N
MW380.43 g/mol
LogP2.67
Rot. Bonds

About (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one

(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one (PubChem CID 149404401) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one.

Molecular Properties

Compound Name(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one
PubChem CID149404401
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one
SMILESC[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1
InChIInChI=1S/C20H21FN6O/c1-12-4-5-15-14(9-13(21)10-22-15)16-3-2-8-26(16)19-7-6-18-23-11-17(20(28)24-12)27(18)25-19/h6-7,9-12,16H,2-5,8H2,1H3,(H,24,28)/t12-,16-/m1/s1
InChIKeyYPZPYEQPWZIIDI-MLGOLLRUSA-N
XLogP2.67
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one 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 (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one?
The IUPAC name of (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one (CID 149404401) is (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one.
What is the SMILES notation for (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one?
The canonical SMILES for (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one is C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1.
What is the InChIKey of (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one?
The InChIKey is YPZPYEQPWZIIDI-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-12-4-5-15-14(9-13(21)10-22-15)16-3-2-8-26(16)19-7-6-18-23-11-17(20(28)24-12)27(18)25-19/h6-7,9-12,16H,2-5,8H2,1H3,(H,24,28)/t12-,16-/m1/s1.
What are the key properties of (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one?
(6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one has a molecular weight of 380.43 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,15R)-9-fluoro-15-methyl-2,11,16,20,24,25-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18,20,22-heptaen-17-one is sourced from PubChem (CID 149404401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).