(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene

C20H22FN5O — CID 70168482

IUPAC(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
SMILESFc1ccc2c(c1)[C@H]1CCCN1c1ccn3ncc(c3n1)CNCCCO2
InChIInChI=1S/C20H22FN5O/c21-15-4-5-18-16(11-15)17-3-1-8-25(17)19-6-9-26-20(24-19)14(13-23-26)12-22-7-2-10-27-18/h4-6,9,11,13,17,22H,1-3,7-8,10,12H2/t17-/m1/s1
InChIKeyOAERZRAEDKYULV-QGZVFWFLSA-N
MW367.43 g/mol
LogP3.08
Rot. Bonds

About (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene

(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene (PubChem CID 70168482) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene.

Molecular Properties

Compound Name(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
PubChem CID70168482
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
SMILESFc1ccc2c(c1)[C@H]1CCCN1c1ccn3ncc(c3n1)CNCCCO2
InChIInChI=1S/C20H22FN5O/c21-15-4-5-18-16(11-15)17-3-1-8-25(17)19-6-9-26-20(24-19)14(13-23-26)12-22-7-2-10-27-18/h4-6,9,11,13,17,22H,1-3,7-8,10,12H2/t17-/m1/s1
InChIKeyOAERZRAEDKYULV-QGZVFWFLSA-N
XLogP3.08
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene?
The IUPAC name of (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene (CID 70168482) is (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene.
What is the SMILES notation for (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene?
The canonical SMILES for (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene is Fc1ccc2c(c1)[C@H]1CCCN1c1ccn3ncc(c3n1)CNCCCO2.
What is the InChIKey of (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene?
The InChIKey is OAERZRAEDKYULV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-15-4-5-18-16(11-15)17-3-1-8-25(17)19-6-9-26-20(24-19)14(13-23-26)12-22-7-2-10-27-18/h4-6,9,11,13,17,22H,1-3,7-8,10,12H2/t17-/m1/s1.
What are the key properties of (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene?
(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene has a molecular weight of 367.43 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene is sourced from PubChem (CID 70168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).