(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one

C24H29F3N6O3 — CID 163278759

IUPAC(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
SMILESCCN1C(=O)N[C@H](C(F)(F)F)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C
InChIInChI=1S/C24H29F3N6O3/c1-4-33-15(2)17-12-16(19(35-3)13-29-17)18-14-32-10-9-28-21(32)22(30-18)36-11-7-5-6-8-20(24(25,26)27)31-23(33)34/h9-10,12-15,20H,4-8,11H2,1-3H3,(H,31,34)/t15-,20+/m1/s1
InChIKeySABCMWXSXKBVPF-QRWLVFNGSA-N
MW506.53 g/mol
LogP4.78
Rot. Bonds2

About (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one

(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one (PubChem CID 163278759) has the molecular formula C24H29F3N6O3 and a molecular weight of 506.53 g/mol. Its IUPAC name is (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one.

Molecular Properties

Compound Name(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
PubChem CID163278759
Molecular FormulaC24H29F3N6O3
Molecular Weight506.53 g/mol
Exact Mass506.23
IUPAC Name(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
SMILESCCN1C(=O)N[C@H](C(F)(F)F)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C
InChIInChI=1S/C24H29F3N6O3/c1-4-33-15(2)17-12-16(19(35-3)13-29-17)18-14-32-10-9-28-21(32)22(30-18)36-11-7-5-6-8-20(24(25,26)27)31-23(33)34/h9-10,12-15,20H,4-8,11H2,1-3H3,(H,31,34)/t15-,20+/m1/s1
InChIKeySABCMWXSXKBVPF-QRWLVFNGSA-N
XLogP4.78
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one?
The IUPAC name of (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one (CID 163278759) is (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one.
What is the SMILES notation for (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one?
The canonical SMILES for (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one is CCN1C(=O)N[C@H](C(F)(F)F)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C.
What is the InChIKey of (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one?
The InChIKey is SABCMWXSXKBVPF-QRWLVFNGSA-N. The full InChI is InChI=1S/C24H29F3N6O3/c1-4-33-15(2)17-12-16(19(35-3)13-29-17)18-14-32-10-9-28-21(32)22(30-18)36-11-7-5-6-8-20(24(25,26)27)31-23(33)34/h9-10,12-15,20H,4-8,11H2,1-3H3,(H,31,34)/t15-,20+/m1/s1.
What are the key properties of (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one?
(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one has a molecular weight of 506.53 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(trifluoromethyl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one is sourced from PubChem (CID 163278759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).