5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one

C30H41N7O2Si — CID 58299613

About 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one

5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one (PubChem CID 58299613) has the molecular formula C30H41N7O2Si and a molecular weight of 559.79 g/mol. Its IUPAC name is 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one.

Molecular Properties

• Compound Name: 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one
• PubChem CID: 58299613
• Molecular Formula: C30H41N7O2Si
• Molecular Weight: 559.79 g/mol
• Exact Mass: 559.31
• IUPAC Name: 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one
• SMILES: Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CC[C@@H](O[Si](C)(C)C(C)(C)C)C5)cn4)nc3n(C3CCCC3)c21
• InChI: InChI=1S/C30H41N7O2Si/c1-30(2,3)40(5,6)39-22-15-16-36(19-22)21-11-13-25(31-17-21)33-29-32-18-24-23-12-14-26(38)35(4)28(23)37(27(24)34-29)20-9-7-8-10-20/h11-14,17-18,20,22H,7-10,15-16,19H2,1-6H3,(H,31,32,33,34)/t22-/m1/s1
• InChIKey: YGAJERHOBSELEK-JOCHJYFZSA-N
• XLogP: 6.14
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.79
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?

The IUPAC name of 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one (CID 58299613) is 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one.

What is the SMILES notation for 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?

The canonical SMILES for 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one is Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CC[C@@H](O[Si](C)(C)C(C)(C)C)C5)cn4)nc3n(C3CCCC3)c21.

What is the InChIKey of 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?

The InChIKey is YGAJERHOBSELEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H41N7O2Si/c1-30(2,3)40(5,6)39-22-15-16-36(19-22)21-11-13-25(31-17-21)33-29-32-18-24-23-12-14-26(38)35(4)28(23)37(27(24)34-29)20-9-7-8-10-20/h11-14,17-18,20,22H,7-10,15-16,19H2,1-6H3,(H,31,32,33,34)/t22-/m1/s1.

What are the key properties of 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?

5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one has a molecular weight of 559.79 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-10-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one is sourced from PubChem (CID 58299613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).