10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene

C30H20N4O — CID 158911455

IUPAC10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
SMILESC1=Cc2cc3c4ccccc4n(-c4cccc(Oc5ccccn5)n4)c3cc2Nc2ccccc21
InChIInChI=1S/C30H20N4O/c1-3-10-24-20(8-1)15-16-21-18-23-22-9-2-4-11-26(22)34(27(23)19-25(21)32-24)28-12-7-14-30(33-28)35-29-13-5-6-17-31-29/h1-19,32H
InChIKeyIJOOMPWOJYCLEM-UHFFFAOYSA-N
MW452.52 g/mol
LogP7.59
Rot. Bonds3

About 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene

10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene (PubChem CID 158911455) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene.

Molecular Properties

Compound Name10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
PubChem CID158911455
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
SMILESC1=Cc2cc3c4ccccc4n(-c4cccc(Oc5ccccn5)n4)c3cc2Nc2ccccc21
InChIInChI=1S/C30H20N4O/c1-3-10-24-20(8-1)15-16-21-18-23-22-9-2-4-11-26(22)34(27(23)19-25(21)32-24)28-12-7-14-30(33-28)35-29-13-5-6-17-31-29/h1-19,32H
InChIKeyIJOOMPWOJYCLEM-UHFFFAOYSA-N
XLogP7.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene with MolForge

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Related Compounds

2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906232
10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
CID 129254941
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
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CID 157331126
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
2-pyrazol-1-yl-6-pyridin-2-yloxypyridine
CID 91616296
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
9-[6-(6-isocyano-9-pyridin-2-ylcarbazol-2-yl)oxy-2-pyridinyl]carbazole-3-carbonitrile
CID 140906288
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990

Frequently Asked Questions

What is the IUPAC name of 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The IUPAC name of 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene (CID 158911455) is 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene.
What is the SMILES notation for 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The canonical SMILES for 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene is C1=Cc2cc3c4ccccc4n(-c4cccc(Oc5ccccn5)n4)c3cc2Nc2ccccc21.
What is the InChIKey of 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The InChIKey is IJOOMPWOJYCLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c1-3-10-24-20(8-1)15-16-21-18-23-22-9-2-4-11-26(22)34(27(23)19-25(21)32-24)28-12-7-14-30(33-28)35-29-13-5-6-17-31-29/h1-19,32H.
What are the key properties of 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene has a molecular weight of 452.52 g/mol, XLogP of 7.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene is sourced from PubChem (CID 158911455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).