(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene

C18H19FN5O2- — CID 163885196

IUPAC(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
SMILESC[C@@H]1CN([O-])Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1
InChIInChI=1S/C18H19FN5O2/c1-12-9-23(25)11-14-8-20-24-6-5-17(21-18(14)24)22(2)10-13-7-15(19)3-4-16(13)26-12/h3-8,12H,9-11H2,1-2H3/q-1/t12-/m1/s1
InChIKeyPZIBZBSBWKVVMS-GFCCVEGCSA-N
MW356.38 g/mol
LogP2.59
Rot. Bonds

About (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene

(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene (PubChem CID 163885196) has the molecular formula C18H19FN5O2- and a molecular weight of 356.38 g/mol. Its IUPAC name is (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene.

Molecular Properties

Compound Name(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
PubChem CID163885196
Molecular FormulaC18H19FN5O2-
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
SMILESC[C@@H]1CN([O-])Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1
InChIInChI=1S/C18H19FN5O2/c1-12-9-23(25)11-14-8-20-24-6-5-17(21-18(14)24)22(2)10-13-7-15(19)3-4-16(13)26-12/h3-8,12H,9-11H2,1-2H3/q-1/t12-/m1/s1
InChIKeyPZIBZBSBWKVVMS-GFCCVEGCSA-N
XLogP2.59
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene with MolForge

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Related Compounds

6-fluoro-2-methyl-10-oxa-2,13,15,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-one
CID 139375298
6-fluoro-2-methyl-10-thia-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 118265538
6-fluoro-11-methyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 137284239
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
(7R,15S)-10-fluoro-15-methyl-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553862
(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-14λ6-thia-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene 14,14-dioxide
CID 166635466
(11S)-5-chloro-6-fluoro-11-methyl-14-methylidene-2-propan-2-yl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
CID 161439309
(9S)-14-fluoro-10-oxa-3,18,22,23,26-pentazapentacyclo[17.5.2.04,9.011,16.022,25]hexacosa-1(25),11(16),12,14,19(26),20,23-heptaen-2-one
CID 145224611
6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene
CID 145224737
(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,14,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one
CID 146209368
6-fluoro-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-11-carboxamide
CID 136953047
6-fluoro-N-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-11-carboxamide
CID 145224624

Frequently Asked Questions

What is the IUPAC name of (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene?
The IUPAC name of (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene (CID 163885196) is (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene.
What is the SMILES notation for (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene?
The canonical SMILES for (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene is C[C@@H]1CN([O-])Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1.
What is the InChIKey of (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene?
The InChIKey is PZIBZBSBWKVVMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN5O2/c1-12-9-23(25)11-14-8-20-24-6-5-17(21-18(14)24)22(2)10-13-7-15(19)3-4-16(13)26-12/h3-8,12H,9-11H2,1-2H3/q-1/t12-/m1/s1.
What are the key properties of (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene?
(11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene has a molecular weight of 356.38 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-6-fluoro-2,11-dimethyl-13-oxido-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene is sourced from PubChem (CID 163885196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).