17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione

C23H22N6O3 — CID 59375727

IUPAC17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione
SMILESO=C1NCc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C(=O)N2CC(O)CC12
InChIInChI=1S/C23H22N6O3/c30-18-9-19-22(31)24-11-14-3-1-5-16(7-14)27-20-10-21(26-13-25-20)28-17-6-2-4-15(8-17)23(32)29(19)12-18/h1-8,10,13,18-19,30H,9,11-12H2,(H,24,31)(H2,25,26,27,28)
InChIKeyOBOIKCMAOWDBNN-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.17
Rot. Bonds

About 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione

17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione (PubChem CID 59375727) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione.

Molecular Properties

Compound Name17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione
PubChem CID59375727
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione
SMILESO=C1NCc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C(=O)N2CC(O)CC12
InChIInChI=1S/C23H22N6O3/c30-18-9-19-22(31)24-11-14-3-1-5-16(7-14)27-20-10-21(26-13-25-20)28-17-6-2-4-15(8-17)23(32)29(19)12-18/h1-8,10,13,18-19,30H,9,11-12H2,(H,24,31)(H2,25,26,27,28)
InChIKeyOBOIKCMAOWDBNN-UHFFFAOYSA-N
XLogP2.17
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione?
The IUPAC name of 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione (CID 59375727) is 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione.
What is the SMILES notation for 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione?
The canonical SMILES for 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione is O=C1NCc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C(=O)N2CC(O)CC12.
What is the InChIKey of 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione?
The InChIKey is OBOIKCMAOWDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-18-9-19-22(31)24-11-14-3-1-5-16(7-14)27-20-10-21(26-13-25-20)28-17-6-2-4-15(8-17)23(32)29(19)12-18/h1-8,10,13,18-19,30H,9,11-12H2,(H,24,31)(H2,25,26,27,28).
What are the key properties of 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione?
17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione has a molecular weight of 430.47 g/mol, XLogP of 2.17, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione is sourced from PubChem (CID 59375727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).