(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione

C17H26N6O3 — CID 134843398

IUPAC(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione
SMILESO=C1CCc2cnnn2CCCC[C@@H]2NC(=O)[C@H](CCCCN1)NC2=O
InChIInChI=1S/C17H26N6O3/c24-15-8-7-12-11-19-22-23(12)10-4-2-6-14-17(26)20-13(16(25)21-14)5-1-3-9-18-15/h11,13-14H,1-10H2,(H,18,24)(H,20,26)(H,21,25)/t13-,14-/m0/s1
InChIKeyIBPVDRWYSVWIIH-KBPBESRZSA-N
MW362.43 g/mol
LogP-0.34
Rot. Bonds

About (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione

(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione (PubChem CID 134843398) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione.

Molecular Properties

Compound Name(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione
PubChem CID134843398
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione
SMILESO=C1CCc2cnnn2CCCC[C@@H]2NC(=O)[C@H](CCCCN1)NC2=O
InChIInChI=1S/C17H26N6O3/c24-15-8-7-12-11-19-22-23(12)10-4-2-6-14-17(26)20-13(16(25)21-14)5-1-3-9-18-15/h11,13-14H,1-10H2,(H,18,24)(H,20,26)(H,21,25)/t13-,14-/m0/s1
InChIKeyIBPVDRWYSVWIIH-KBPBESRZSA-N
XLogP-0.34
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CD-Mono-LK-DP
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(2S,3S)-2-[4-(5-aminopentyl)triazol-1-yl]-3-methyl-N-(11-oxo-11-piperazin-1-ylundecyl)pentanamide
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Yu-mono-KI
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EK-Mono-IK-DP
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AS-Mono-NN-DP
CID 25163024
YU-Mono-KE-DP
CID 16129531
YU-Mono-IK-DP
CID 16129558
CD-Mono-IK-DP
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YU-Mono-KI-DP
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AS-Mono-NK-DP
CID 25162987

Frequently Asked Questions

What is the IUPAC name of (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione?
The IUPAC name of (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione (CID 134843398) is (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione.
What is the SMILES notation for (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione?
The canonical SMILES for (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione is O=C1CCc2cnnn2CCCC[C@@H]2NC(=O)[C@H](CCCCN1)NC2=O.
What is the InChIKey of (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione?
The InChIKey is IBPVDRWYSVWIIH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N6O3/c24-15-8-7-12-11-19-22-23(12)10-4-2-6-14-17(26)20-13(16(25)21-14)5-1-3-9-18-15/h11,13-14H,1-10H2,(H,18,24)(H,20,26)(H,21,25)/t13-,14-/m0/s1.
What are the key properties of (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione?
(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione has a molecular weight of 362.43 g/mol, XLogP of -0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione is sourced from PubChem (CID 134843398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).