(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione

C19H19FN6O2 — CID 54670253

IUPAC(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
SMILESO=C1NCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C19H19FN6O2/c20-12-9-13-15-3-1-7-25(15)16-4-8-26-17(23-16)14(10-22-26)18(27)21-5-2-6-24(11-12)19(13)28/h4,8-11,15H,1-3,5-7H2,(H,21,27)/t15-/m1/s1
InChIKeyMNBWDIGNEWSBTG-OAHLLOKOSA-N
MW382.40 g/mol
LogP1.51
Rot. Bonds

About (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione

(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione (PubChem CID 54670253) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione.

Molecular Properties

Compound Name(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
PubChem CID54670253
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
SMILESO=C1NCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C19H19FN6O2/c20-12-9-13-15-3-1-7-25(15)16-4-8-26-17(23-16)14(10-22-26)18(27)21-5-2-6-24(11-12)19(13)28/h4,8-11,15H,1-3,5-7H2,(H,21,27)/t15-/m1/s1
InChIKeyMNBWDIGNEWSBTG-OAHLLOKOSA-N
XLogP1.51
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The IUPAC name of (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione (CID 54670253) is (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione.
What is the SMILES notation for (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The canonical SMILES for (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione is O=C1NCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2.
What is the InChIKey of (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The InChIKey is MNBWDIGNEWSBTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-12-9-13-15-3-1-7-25(15)16-4-8-26-17(23-16)14(10-22-26)18(27)21-5-2-6-24(11-12)19(13)28/h4,8-11,15H,1-3,5-7H2,(H,21,27)/t15-/m1/s1.
What are the key properties of (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
(6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione has a molecular weight of 382.40 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-fluoro-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione is sourced from PubChem (CID 54670253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).