6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione

C35H18N6O3 — CID 71113512

IUPAC6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
SMILESO=C1c2ccc3c(=O)n4c5cc(-c6ccccn6)c(-c6ccccn6)cc5nc4c4ccc(c2c34)C(=O)N1c1ccccn1
InChIInChI=1S/C35H18N6O3/c42-33-20-12-13-22-31-21(34(43)41(35(22)44)29-9-3-6-16-38-29)11-10-19(30(20)31)32-39-27-17-23(25-7-1-4-14-36-25)24(18-28(27)40(32)33)26-8-2-5-15-37-26/h1-18H
InChIKeyWLNUAXBJMDMFQX-UHFFFAOYSA-N
MW570.57 g/mol
LogP5.91
Rot. Bonds3

About 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione

6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione (PubChem CID 71113512) has the molecular formula C35H18N6O3 and a molecular weight of 570.57 g/mol. Its IUPAC name is 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione.

Molecular Properties

Compound Name6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
PubChem CID71113512
Molecular FormulaC35H18N6O3
Molecular Weight570.57 g/mol
Exact Mass570.14
IUPAC Name6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
SMILESO=C1c2ccc3c(=O)n4c5cc(-c6ccccn6)c(-c6ccccn6)cc5nc4c4ccc(c2c34)C(=O)N1c1ccccn1
InChIInChI=1S/C35H18N6O3/c42-33-20-12-13-22-31-21(34(43)41(35(22)44)29-9-3-6-16-38-29)11-10-19(30(20)31)32-39-27-17-23(25-7-1-4-14-36-25)24(18-28(27)40(32)33)26-8-2-5-15-37-26/h1-18H
InChIKeyWLNUAXBJMDMFQX-UHFFFAOYSA-N
XLogP5.91
TPSA110.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The IUPAC name of 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione (CID 71113512) is 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione.
What is the SMILES notation for 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The canonical SMILES for 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione is O=C1c2ccc3c(=O)n4c5cc(-c6ccccn6)c(-c6ccccn6)cc5nc4c4ccc(c2c34)C(=O)N1c1ccccn1.
What is the InChIKey of 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The InChIKey is WLNUAXBJMDMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H18N6O3/c42-33-20-12-13-22-31-21(34(43)41(35(22)44)29-9-3-6-16-38-29)11-10-19(30(20)31)32-39-27-17-23(25-7-1-4-14-36-25)24(18-28(27)40(32)33)26-8-2-5-15-37-26/h1-18H.
What are the key properties of 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione has a molecular weight of 570.57 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,17-tripyridin-2-yl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione is sourced from PubChem (CID 71113512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).