2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide

C29H35N5O2 — CID 68669662

About 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide

2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide (PubChem CID 68669662) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
• PubChem CID: 68669662
• Molecular Formula: C29H35N5O2
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.28
• IUPAC Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
• SMILES: C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC(=O)Nc3ccc(-c4ncccn4)cn3)CC[C@@H]12
• InChI: InChI=1S/C29H35N5O2/c1-28-12-10-22-20(6-8-23-29(22,2)13-11-25(35)33-23)21(28)7-5-19(28)16-26(36)34-24-9-4-18(17-32-24)27-30-14-3-15-31-27/h3-4,9,11,13-15,17,19-23H,5-8,10,12,16H2,1-2H3,(H,33,35)(H,32,34,36)/t19-,20+,21+,22+,23-,28-,29-/m1/s1
• InChIKey: VOEPRPSIEBAAIZ-QKJDOZONSA-N
• XLogP: 4.78
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?

The IUPAC name of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide (CID 68669662) is 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide is C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC(=O)Nc3ccc(-c4ncccn4)cn3)CC[C@@H]12.

What is the InChIKey of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?

The InChIKey is VOEPRPSIEBAAIZ-QKJDOZONSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-28-12-10-22-20(6-8-23-29(22,2)13-11-25(35)33-23)21(28)7-5-19(28)16-26(36)34-24-9-4-18(17-32-24)27-30-14-3-15-31-27/h3-4,9,11,13-15,17,19-23H,5-8,10,12,16H2,1-2H3,(H,33,35)(H,32,34,36)/t19-,20+,21+,22+,23-,28-,29-/m1/s1.

What are the key properties of 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?

2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 68669662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).