5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile

C24H19N7O2 — CID 138458383

IUPAC5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1
InChIInChI=1S/C24H19N7O2/c25-13-18-8-6-17(14-26-18)16-7-9-21-19(12-16)24(32)29-22-5-3-4-20(28-22)23-30-27-15-31(23)10-1-2-11-33-21/h3-9,12,14-15H,1-2,10-11H2,(H,28,29,32)
InChIKeyYZWRYHMPGGDOTR-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.70
Rot. Bonds1

About 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile

5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile (PubChem CID 138458383) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile
PubChem CID138458383
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1
InChIInChI=1S/C24H19N7O2/c25-13-18-8-6-17(14-26-18)16-7-9-21-19(12-16)24(32)29-22-5-3-4-20(28-22)23-30-27-15-31(23)10-1-2-11-33-21/h3-9,12,14-15H,1-2,10-11H2,(H,28,29,32)
InChIKeyYZWRYHMPGGDOTR-UHFFFAOYSA-N
XLogP3.70
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile (CID 138458383) is 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1.
What is the InChIKey of 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile?
The InChIKey is YZWRYHMPGGDOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c25-13-18-8-6-17(14-26-18)16-7-9-21-19(12-16)24(32)29-22-5-3-4-20(28-22)23-30-27-15-31(23)10-1-2-11-33-21/h3-9,12,14-15H,1-2,10-11H2,(H,28,29,32).
What are the key properties of 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile?
5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile has a molecular weight of 437.46 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-15-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 138458383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).