(7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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

C26H34N6O3 — CID 175757470

IUPAC(7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)NC(C2CC2)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C
InChIInChI=1S/C26H34N6O3/c1-4-32-17(2)21-14-19(23(34-3)15-28-21)22-16-31-12-11-27-24(31)25(29-22)35-13-7-5-6-8-20(18-9-10-18)30-26(32)33/h11-12,14-18,20H,4-10,13H2,1-3H3,(H,30,33)/t17-,20?/m1/s1
InChIKeyUPBKZFOJKNKBOK-DIAVIDTQSA-N
MW478.60 g/mol
LogP4.62
Rot. Bonds3

About (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 175757470) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 CID175757470
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name(7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)NC(C2CC2)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C
InChIInChI=1S/C26H34N6O3/c1-4-32-17(2)21-14-19(23(34-3)15-28-21)22-16-31-12-11-27-24(31)25(29-22)35-13-7-5-6-8-20(18-9-10-18)30-26(32)33/h11-12,14-18,20H,4-10,13H2,1-3H3,(H,30,33)/t17-,20?/m1/s1
InChIKeyUPBKZFOJKNKBOK-DIAVIDTQSA-N
XLogP4.62
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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

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Related Compounds

(7R,11R)-8-ethyl-3-methoxy-7,11-dimethyl-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 166177998
(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
(7R)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-14,17-dioxa-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 175757523
(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-14,17-dioxa-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 166177995
(7R)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoro-1-hydroxypropyl)-17-oxa-5,8,10,20,22,23,25-heptazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 163278210
(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-13,17-dioxa-8,10,20,23,25-pentazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2,4,6(26),18(25),19,21-heptaen-9-one
CID 166178011
(7R,11R)-8-ethyl-7-methyl-11-(3,3,3-trifluoropropyl)-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 167047266
(7R,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-8-ethyl-3-methoxy-7-methyl-17-oxa-5,8,10,20,22,23,25-heptazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 174004837
(7R)-8-ethyl-7-methyl-11-(1,2-oxazol-3-yl)-17-oxa-8,10,20,23,25-pentazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 166178010
(7R,11S)-11-(3,3-difluorobutyl)-8-ethyl-3-methoxy-7-methyl-14,17-dioxa-5,8,10,20,23,24,25-heptazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 163278363
(7R,11S,13E)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-17-oxa-4,8,10,20,23,25,26-heptazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,13,18(25),19,21-octaen-9-one
CID 163278223
(7R)-11-(3,3-difluoropropyl)-8-ethyl-3,7-dimethyl-17-oxa-5,8,10,20,22,23,25-heptazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 167047203

Frequently Asked Questions

What is the IUPAC name of (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 175757470) is (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)NC(C2CC2)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C.
What is the InChIKey of (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 UPBKZFOJKNKBOK-DIAVIDTQSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-4-32-17(2)21-14-19(23(34-3)15-28-21)22-16-31-12-11-27-24(31)25(29-22)35-13-7-5-6-8-20(18-9-10-18)30-26(32)33/h11-12,14-18,20H,4-10,13H2,1-3H3,(H,30,33)/t17-,20?/m1/s1.
What are the key properties of (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 478.60 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-11-cyclopropyl-8-ethyl-3-methoxy-7-methyl-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 175757470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).