(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione

C19H23FN6O3 — CID 167230980

IUPAC(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione
SMILESO=C1NCCCCNC(=O)c2ccc(F)c(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1
InChIInChI=1S/C19H23FN6O3/c20-13-5-6-14-18(27)21-7-1-2-8-22-19(28)29-12-4-3-11(9-12)15-10-16(26-25-15)24-17(13)23-14/h5-6,10-12H,1-4,7-9H2,(H,21,27)(H,22,28)(H2,23,24,25,26)/t11-,12+/m0/s1
InChIKeyHYGBKVKOOKJTEL-NWDGAFQWSA-N
MW402.43 g/mol
LogP2.57
Rot. Bonds

About (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione

(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione (PubChem CID 167230980) has the molecular formula C19H23FN6O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione.

Molecular Properties

Compound Name(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione
PubChem CID167230980
Molecular FormulaC19H23FN6O3
Molecular Weight402.43 g/mol
Exact Mass402.18
IUPAC Name(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione
SMILESO=C1NCCCCNC(=O)c2ccc(F)c(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1
InChIInChI=1S/C19H23FN6O3/c20-13-5-6-14-18(27)21-7-1-2-8-22-19(28)29-12-4-3-11(9-12)15-10-16(26-25-15)24-17(13)23-14/h5-6,10-12H,1-4,7-9H2,(H,21,27)(H,22,28)(H2,23,24,25,26)/t11-,12+/m0/s1
InChIKeyHYGBKVKOOKJTEL-NWDGAFQWSA-N
XLogP2.57
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione?
The IUPAC name of (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione (CID 167230980) is (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione.
What is the SMILES notation for (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione?
The canonical SMILES for (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione is O=C1NCCCCNC(=O)c2ccc(F)c(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1.
What is the InChIKey of (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione?
The InChIKey is HYGBKVKOOKJTEL-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H23FN6O3/c20-13-5-6-14-18(27)21-7-1-2-8-22-19(28)29-12-4-3-11(9-12)15-10-16(26-25-15)24-17(13)23-14/h5-6,10-12H,1-4,7-9H2,(H,21,27)(H,22,28)(H2,23,24,25,26)/t11-,12+/m0/s1.
What are the key properties of (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione?
(7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione has a molecular weight of 402.43 g/mol, XLogP of 2.57, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-23-fluoro-11-oxa-2,4,5,13,18,24-hexazatetracyclo[18.3.1.13,6.17,10]hexacosa-1(23),3,6(26),20(24),21-pentaene-12,19-dione is sourced from PubChem (CID 167230980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).