(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione

C20H21FN6O2 — CID 70169911

IUPAC(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione
SMILESO=C1NCCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C20H21FN6O2/c21-13-10-14-16-4-3-8-26(16)17-5-9-27-18(24-17)15(11-23-27)19(28)22-6-1-2-7-25(12-13)20(14)29/h5,9-12,16H,1-4,6-8H2,(H,22,28)/t16-/m1/s1
InChIKeyNLZGFMIWJQDZHR-MRXNPFEDSA-N
MW396.43 g/mol
LogP1.90
Rot. Bonds

About (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione

(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione (PubChem CID 70169911) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione.

Molecular Properties

Compound Name(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione
PubChem CID70169911
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione
SMILESO=C1NCCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C20H21FN6O2/c21-13-10-14-16-4-3-8-26(16)17-5-9-27-18(24-17)15(11-23-27)19(28)22-6-1-2-7-25(12-13)20(14)29/h5,9-12,16H,1-4,6-8H2,(H,22,28)/t16-/m1/s1
InChIKeyNLZGFMIWJQDZHR-MRXNPFEDSA-N
XLogP1.90
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione 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)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione?
The IUPAC name of (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione (CID 70169911) is (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione.
What is the SMILES notation for (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione?
The canonical SMILES for (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione is O=C1NCCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2.
What is the InChIKey of (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione?
The InChIKey is NLZGFMIWJQDZHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-13-10-14-16-4-3-8-26(16)17-5-9-27-18(24-17)15(11-23-27)19(28)22-6-1-2-7-25(12-13)20(14)29/h5,9-12,16H,1-4,6-8H2,(H,22,28)/t16-/m1/s1.
What are the key properties of (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione?
(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione has a molecular weight of 396.43 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione is sourced from PubChem (CID 70169911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).