(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine

C23H24FN7O — CID 166560090

IUPAC(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine
SMILESCCc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)nc1C2
InChIInChI=1S/C23H24FN7O/c1-5-17-21-13-8-20(23(25)26-11-13)32-12(2)16-9-14(24)6-7-15(16)22-18(28-31(4)29-22)10-19(21)30(3)27-17/h6-9,11-12H,5,10H2,1-4H3,(H2,25,26)/t12-/m1/s1
InChIKeyZJAWMAWPUQQFNF-GFCCVEGCSA-N
MW433.49 g/mol
LogP3.61
Rot. Bonds1

About (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine

(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine (PubChem CID 166560090) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine.

Molecular Properties

Compound Name(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine
PubChem CID166560090
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine
SMILESCCc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)nc1C2
InChIInChI=1S/C23H24FN7O/c1-5-17-21-13-8-20(23(25)26-11-13)32-12(2)16-9-14(24)6-7-15(16)22-18(28-31(4)29-22)10-19(21)30(3)27-17/h6-9,11-12H,5,10H2,1-4H3,(H2,25,26)/t12-/m1/s1
InChIKeyZJAWMAWPUQQFNF-GFCCVEGCSA-N
XLogP3.61
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?
The IUPAC name of (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine (CID 166560090) is (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine.
What is the SMILES notation for (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?
The canonical SMILES for (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine is CCc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)nc1C2.
What is the InChIKey of (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?
The InChIKey is ZJAWMAWPUQQFNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-5-17-21-13-8-20(23(25)26-11-13)32-12(2)16-9-14(24)6-7-15(16)22-18(28-31(4)29-22)10-19(21)30(3)27-17/h6-9,11-12H,5,10H2,1-4H3,(H2,25,26)/t12-/m1/s1.
What are the key properties of (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?
(19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine has a molecular weight of 433.49 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-3-ethyl-16-fluoro-5,10,19-trimethyl-20-oxa-4,5,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine is sourced from PubChem (CID 166560090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).