11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione

C23H29N7O2 — CID 59442168

IUPAC11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione
SMILESCN1CCN(C)C(=O)CN(C)C(=O)CCc2cccc(c2)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C23H29N7O2/c1-28-9-10-29(2)20(32)14-30(3)19(31)8-7-16-5-4-6-18(11-16)27-23-21-17(13-28)12-24-22(21)25-15-26-23/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
InChIKeyPMBXKOAKRIKDQP-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.00
Rot. Bonds

About 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione

11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione (PubChem CID 59442168) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione.

Molecular Properties

Compound Name11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione
PubChem CID59442168
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione
SMILESCN1CCN(C)C(=O)CN(C)C(=O)CCc2cccc(c2)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C23H29N7O2/c1-28-9-10-29(2)20(32)14-30(3)19(31)8-7-16-5-4-6-18(11-16)27-23-21-17(13-28)12-24-22(21)25-15-26-23/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
InChIKeyPMBXKOAKRIKDQP-UHFFFAOYSA-N
XLogP2.00
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione with MolForge

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Related Compounds

13,16-dimethyl-8-oxa-2,13,16,20,22,24-hexazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(24),3(26),4,6,18,21(25),22-heptaen-12-one
CID 59442241
5,6-dimethoxy-9,12-dimethyl-2,9,12,18,20,22-hexazatetracyclo[14.6.1.13,7.019,23]tetracosa-1(22),3(24),4,6,16,19(23),20-heptaen-11-one
CID 59442238
6-(2-hydroxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442293
17-oxa-1,5,7,9,11,23-hexazapentacyclo[21.2.2.13,6.112,16.010,29]nonacosa-3,6(29),7,9,12(28),13,15-heptaen-22-one
CID 59442367
11-cyclohexyl-6-methoxy-15-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442391
6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one
CID 71030431
6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
CID 59442372
6-[2-[benzyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
CID 25183303
17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione
CID 102346471
(12R)-12-(hydroxymethyl)-6-methoxy-14-methyl-8-oxa-2,11,14,20,22,24-hexazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(24),3(26),4,6,18,21(25),22-heptaen-10-one
CID 71053657
6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
CID 25183448
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 146089042

Frequently Asked Questions

What is the IUPAC name of 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione?
The IUPAC name of 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione (CID 59442168) is 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione.
What is the SMILES notation for 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione?
The canonical SMILES for 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione is CN1CCN(C)C(=O)CN(C)C(=O)CCc2cccc(c2)Nc2ncnc3[nH]cc(c23)C1.
What is the InChIKey of 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione?
The InChIKey is PMBXKOAKRIKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-28-9-10-29(2)20(32)14-30(3)19(31)8-7-16-5-4-6-18(11-16)27-23-21-17(13-28)12-24-22(21)25-15-26-23/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione?
11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione has a molecular weight of 435.53 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,17-trimethyl-2,11,14,17,21,23,25-heptazatetracyclo[17.6.1.13,7.022,26]heptacosa-1(25),3,5,7(27),19,22(26),23-heptaene-10,13-dione is sourced from PubChem (CID 59442168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).