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

C17H17FN6O2 — CID 139375298

IUPAC6-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
SMILESCN1Cc2cc(F)ccc2OCCNC(=O)Nc2cnn3ccc1nc23
InChIInChI=1S/C17H17FN6O2/c1-23-10-11-8-12(18)2-3-14(11)26-7-5-19-17(25)21-13-9-20-24-6-4-15(23)22-16(13)24/h2-4,6,8-9H,5,7,10H2,1H3,(H2,19,21,25)
InChIKeyRRVWRGLZNFQLHC-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.02
Rot. Bonds

About 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

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 (PubChem CID 139375298) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID139375298
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name6-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
SMILESCN1Cc2cc(F)ccc2OCCNC(=O)Nc2cnn3ccc1nc23
InChIInChI=1S/C17H17FN6O2/c1-23-10-11-8-12(18)2-3-14(11)26-7-5-19-17(25)21-13-9-20-24-6-4-15(23)22-16(13)24/h2-4,6,8-9H,5,7,10H2,1H3,(H2,19,21,25)
InChIKeyRRVWRGLZNFQLHC-UHFFFAOYSA-N
XLogP2.02
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
6-fluoro-10-oxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 118265756
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
5-fluoro-2-[(2R)-2-hydroxybutyl]-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.03,8.018,22]docosa-1(21),3(8),4,6,15(22),16,19-heptaen-14-one
CID 129067909
(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
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
ethane;6-fluoro-12-(hydroxymethyl)-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 145224662
(6S,15R)-9-fluoro-15-methyl-3,13-dioxa-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 155449385
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
(3S,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one;(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one;bis((3R)-6-fluoro-3-methyl-10-oxa-2,13,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-one);(3R)-6-fluoro-3-methyl-10-oxa-2,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one;(3R)-6-fluoro-3,12,12-trimethyl-10-oxa-2,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one
CID 159850904
6-fluoro-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.03,8.017,21]henicosa-1(20),3(8),4,6,14(21),15,18-heptaen-13-one
CID 155153459

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2cc(F)ccc2OCCNC(=O)Nc2cnn3ccc1nc23.
What is the InChIKey of 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?
The InChIKey is RRVWRGLZNFQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-23-10-11-8-12(18)2-3-14(11)26-7-5-19-17(25)21-13-9-20-24-6-4-15(23)22-16(13)24/h2-4,6,8-9H,5,7,10H2,1H3,(H2,19,21,25).
What are the key properties of 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?
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 has a molecular weight of 356.36 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139375298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).