19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene

C40H24N4O — CID 129223605

IUPAC19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Oc3ccccc3-6)c2)nc1
InChIInChI=1S/C40H24N4O/c1-3-14-32-29(11-1)38-35(23-37-40-39(38)30-12-2-4-15-33(30)44(40)34-16-5-6-17-36(34)45-37)43(32)28-21-26(25-10-9-18-41-24-25)20-27(22-28)31-13-7-8-19-42-31/h1-24H
InChIKeyDQZWWWXTXGADAB-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.11
Rot. Bonds3

About 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene

19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene (PubChem CID 129223605) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene.

Molecular Properties

Compound Name19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
PubChem CID129223605
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Oc3ccccc3-6)c2)nc1
InChIInChI=1S/C40H24N4O/c1-3-14-32-29(11-1)38-35(23-37-40-39(38)30-12-2-4-15-33(30)44(40)34-16-5-6-17-36(34)45-37)43(32)28-21-26(25-10-9-18-41-24-25)20-27(22-28)31-13-7-8-19-42-31/h1-24H
InChIKeyDQZWWWXTXGADAB-UHFFFAOYSA-N
XLogP10.11
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene 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 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The IUPAC name of 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene (CID 129223605) is 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene.
What is the SMILES notation for 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The canonical SMILES for 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene is c1ccc(-c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Oc3ccccc3-6)c2)nc1.
What is the InChIKey of 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The InChIKey is DQZWWWXTXGADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-14-32-29(11-1)38-35(23-37-40-39(38)30-12-2-4-15-33(30)44(40)34-16-5-6-17-36(34)45-37)43(32)28-21-26(25-10-9-18-41-24-25)20-27(22-28)31-13-7-8-19-42-31/h1-24H.
What are the key properties of 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene has a molecular weight of 576.66 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(3-pyridin-2-yl-5-pyridin-3-ylphenyl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene is sourced from PubChem (CID 129223605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).