23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene

C30H30N4O6 — CID 138973207

IUPAC23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene
SMILESc1ccc(C2=NN=C(c3ccccn3)C3C4OC(c5cc6c(cc54)OCCOCCOCCOCCO6)C23)nc1
InChIInChI=1S/C30H30N4O6/c1-3-7-31-21(5-1)27-25-26(28(34-33-27)22-6-2-4-8-32-22)30-20-18-24-23(17-19(20)29(25)40-30)38-15-13-36-11-9-35-10-12-37-14-16-39-24/h1-8,17-18,25-26,29-30H,9-16H2
InChIKeyYOUPZCZYNRBKQX-UHFFFAOYSA-N
MW542.59 g/mol
LogP3.56
Rot. Bonds2

About 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene

23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene (PubChem CID 138973207) has the molecular formula C30H30N4O6 and a molecular weight of 542.59 g/mol. Its IUPAC name is 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene.

Molecular Properties

Compound Name23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene
PubChem CID138973207
Molecular FormulaC30H30N4O6
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC Name23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene
SMILESc1ccc(C2=NN=C(c3ccccn3)C3C4OC(c5cc6c(cc54)OCCOCCOCCOCCO6)C23)nc1
InChIInChI=1S/C30H30N4O6/c1-3-7-31-21(5-1)27-25-26(28(34-33-27)22-6-2-4-8-32-22)30-20-18-24-23(17-19(20)29(25)40-30)38-15-13-36-11-9-35-10-12-37-14-16-39-24/h1-8,17-18,25-26,29-30H,9-16H2
InChIKeyYOUPZCZYNRBKQX-UHFFFAOYSA-N
XLogP3.56
TPSA105.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene with MolForge

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

Launch Full Analysis

Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Octaverine
CID 68363
1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 9-ethoxy-5,6-dihydro-10-methoxy-
CID 10790783
1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 9-(heptyloxy)-5,6-dihydro-10-methoxy-
CID 70681247
1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 5,6-dihydro-10-methoxy-9-(pentyloxy)-
CID 70687580
Pseudocoptisine
CID 15520811
7-[2-[(2S)-oxan-2-yl]oxyethyl]-[1,3]dioxolo[4,5-g]isoquinoline
CID 25058395
17-Methoxy-16-(2-phenoxyethoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 46232032
17-Methoxy-16-(3-phenoxypropoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 46232034
17-Methoxy-16-(4-phenoxybutoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 46232036
17-Methoxy-16-(5-phenoxypentoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 46232098

Frequently Asked Questions

What is the IUPAC name of 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene?
The IUPAC name of 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene (CID 138973207) is 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene.
What is the SMILES notation for 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene?
The canonical SMILES for 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene is c1ccc(C2=NN=C(c3ccccn3)C3C4OC(c5cc6c(cc54)OCCOCCOCCOCCO6)C23)nc1.
What is the InChIKey of 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene?
The InChIKey is YOUPZCZYNRBKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6/c1-3-7-31-21(5-1)27-25-26(28(34-33-27)22-6-2-4-8-32-22)30-20-18-24-23(17-19(20)29(25)40-30)38-15-13-36-11-9-35-10-12-37-14-16-39-24/h1-8,17-18,25-26,29-30H,9-16H2.
What are the key properties of 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene?
23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene has a molecular weight of 542.59 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 23,26-dipyridin-2-yl-5,8,11,14,17,28-hexaoxa-24,25-diazapentacyclo[19.6.1.02,20.04,18.022,27]octacosa-2,4(18),19,23,25-pentaene is sourced from PubChem (CID 138973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).