(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione

C24H22N4O4 — CID 164607542

IUPAC(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione
SMILESO=C1c2c(O)c(=O)ccn2N2CN1CCC/C=C/Oc1ccccc1C2c1ccccn1
InChIInChI=1S/C24H22N4O4/c29-19-11-14-27-22(23(19)30)24(31)26-13-6-1-7-15-32-20-10-3-2-8-17(20)21(28(27)16-26)18-9-4-5-12-25-18/h2-5,7-12,14-15,21,30H,1,6,13,16H2/b15-7+
InChIKeyCXFSUIXTLAQRKF-VIZOYTHASA-N
MW430.46 g/mol
LogP2.78
Rot. Bonds1

About (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione

(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione (PubChem CID 164607542) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione.

Molecular Properties

Compound Name(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione
PubChem CID164607542
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione
SMILESO=C1c2c(O)c(=O)ccn2N2CN1CCC/C=C/Oc1ccccc1C2c1ccccn1
InChIInChI=1S/C24H22N4O4/c29-19-11-14-27-22(23(19)30)24(31)26-13-6-1-7-15-32-20-10-3-2-8-17(20)21(28(27)16-26)18-9-4-5-12-25-18/h2-5,7-12,14-15,21,30H,1,6,13,16H2/b15-7+
InChIKeyCXFSUIXTLAQRKF-VIZOYTHASA-N
XLogP2.78
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione 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 (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione?
The IUPAC name of (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione (CID 164607542) is (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione.
What is the SMILES notation for (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione?
The canonical SMILES for (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione is O=C1c2c(O)c(=O)ccn2N2CN1CCC/C=C/Oc1ccccc1C2c1ccccn1.
What is the InChIKey of (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione?
The InChIKey is CXFSUIXTLAQRKF-VIZOYTHASA-N. The full InChI is InChI=1S/C24H22N4O4/c29-19-11-14-27-22(23(19)30)24(31)26-13-6-1-7-15-32-20-10-3-2-8-17(20)21(28(27)16-26)18-9-4-5-12-25-18/h2-5,7-12,14-15,21,30H,1,6,13,16H2/b15-7+.
What are the key properties of (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione?
(10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione has a molecular weight of 430.46 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-18-hydroxy-2-pyridin-2-yl-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,10,17,20-hexaene-16,19-dione is sourced from PubChem (CID 164607542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).