(2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione

C33H33ClN8O6 — CID 154820647

About (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione

(2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione (PubChem CID 154820647) has the molecular formula C33H33ClN8O6 and a molecular weight of 673.13 g/mol. Its IUPAC name is (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione.

Molecular Properties

• Compound Name: (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione
• PubChem CID: 154820647
• Molecular Formula: C33H33ClN8O6
• Molecular Weight: 673.13 g/mol
• Exact Mass: 672.22
• IUPAC Name: (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione
• SMILES: CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2
• InChI: InChI=1S/C33H33ClN8O6/c1-19(2)12-25-32-39-27(18-47-32)31(45)37-23(13-20-6-4-3-5-7-20)29(43)35-10-11-41(16-22-14-24(40-48-22)30(44)38-25)33(46)26-17-42-15-21(34)8-9-28(42)36-26/h3-9,14-15,17-19,23,25H,10-13,16H2,1-2H3,(H,35,43)(H,37,45)(H,38,44)/t23-,25+/m0/s1
• InChIKey: HCCYIZXLEUBILH-UKILVPOCSA-N
• XLogP: 3.59
• TPSA: 176.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.13
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione?

The IUPAC name of (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione (CID 154820647) is (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione.

What is the SMILES notation for (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione?

The canonical SMILES for (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione is CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2.

What is the InChIKey of (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione?

The InChIKey is HCCYIZXLEUBILH-UKILVPOCSA-N. The full InChI is InChI=1S/C33H33ClN8O6/c1-19(2)12-25-32-39-27(18-47-32)31(45)37-23(13-20-6-4-3-5-7-20)29(43)35-10-11-41(16-22-14-24(40-48-22)30(44)38-25)33(46)26-17-42-15-21(34)8-9-28(42)36-26/h3-9,14-15,17-19,23,25H,10-13,16H2,1-2H3,(H,35,43)(H,37,45)(H,38,44)/t23-,25+/m0/s1.

What are the key properties of (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione?

(2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione has a molecular weight of 673.13 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,15S)-15-benzyl-10-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(2-methylpropyl)-7,20-dioxa-3,6,10,13,16,21-hexazatricyclo[16.2.1.15,8]docosa-1(21),5,8(22),18-tetraene-4,14,17-trione is sourced from PubChem (CID 154820647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).