(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one

C22H24FN7O2 — CID 162710923

IUPAC(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
SMILESCN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O
InChIInChI=1S/C22H24FN7O2/c1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t17-/m1/s1
InChIKeyQIWYPRLDGLPCBZ-QGZVFWFLSA-N
MW437.48 g/mol
LogP2.40
Rot. Bonds

About (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one

(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one (PubChem CID 162710923) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one.

Molecular Properties

Compound Name(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
PubChem CID162710923
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
SMILESCN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O
InChIInChI=1S/C22H24FN7O2/c1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t17-/m1/s1
InChIKeyQIWYPRLDGLPCBZ-QGZVFWFLSA-N
XLogP2.40
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one with MolForge

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Related Compounds

(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
CID 163691128
(6R)-23-amino-9-fluoro-14,17-dimethyl-2,14,16,17,22-pentazapentacyclo[18.3.1.02,6.07,12.015,19]tetracosa-1(23),7(12),8,10,15,18,20(24),21-octaen-13-one
CID 167264822
(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one
CID 162711003
(16S)-23-amino-13-fluoro-3-methoxy-4,8-dimethyl-18-oxa-4,5,8,21,24,26-hexazapentacyclo[20.3.1.02,6.010,15.016,21]hexacosa-1(25),2,5,10(15),11,13,22(26),23-octaen-9-one
CID 162710986
(16S)-23-amino-13-fluoro-4,8-dimethyl-18-oxa-4,5,8,21,24-pentazapentacyclo[20.3.1.02,6.010,15.016,21]hexacosa-1(26),2,5,10(15),11,13,22,24-octaen-9-one
CID 162710960
(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one
CID 162710940
1-[(6R)-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-yl]ethanone
CID 54670257
(6S)-9-fluoro-19-methyl-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 158257148
17-amino-15-butyl-7-cyclopropyl-12-fluoro-4-methyl-4,5,7,15,18-pentazatetracyclo[14.3.1.02,6.09,14]icosa-1(20),2,5,9(14),10,12,16,18-octaen-8-one
CID 167264364
(6R)-24-amino-9-fluoro-14,18-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile
CID 146477023
(6R,16S)-9-fluoro-19-isocyano-16-methyl-13-oxa-2,17,21,25-tetrazapentacyclo[16.6.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,18(26),19,21,23-octaene
CID 156683436
(6R)-9-fluoro-13-oxa-2,17,21,25-tetrazapentacyclo[16.6.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,18(26),19,21,23-octaene-19-carboxylic acid
CID 146212744

Frequently Asked Questions

What is the IUPAC name of (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The IUPAC name of (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one (CID 162710923) is (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one.
What is the SMILES notation for (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The canonical SMILES for (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one is CN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O.
What is the InChIKey of (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The InChIKey is QIWYPRLDGLPCBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t17-/m1/s1.
What are the key properties of (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one has a molecular weight of 437.48 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one is sourced from PubChem (CID 162710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).