[(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid

C30H38N6O4Si — CID 67361652

About [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid

[(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid (PubChem CID 67361652) has the molecular formula C30H38N6O4Si and a molecular weight of 574.76 g/mol. Its IUPAC name is [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid.

Molecular Properties

• Compound Name: [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid
• PubChem CID: 67361652
• Molecular Formula: C30H38N6O4Si
• Molecular Weight: 574.76 g/mol
• Exact Mass: 574.27
• IUPAC Name: [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid
• SMILES: COc1ccc2c(c1)c(-c1cc3c(ncc4cnc([C@@H]5CC[C@H](NC(=O)O)C5)n43)n1COCC[Si](C)(C)C)cn2C
• InChI: InChI=1S/C30H38N6O4Si/c1-34-17-24(23-13-22(39-2)8-9-25(23)34)26-14-27-29(35(26)18-40-10-11-41(3,4)5)32-16-21-15-31-28(36(21)27)19-6-7-20(12-19)33-30(37)38/h8-9,13-17,19-20,33H,6-7,10-12,18H2,1-5H3,(H,37,38)/t19-,20+/m1/s1
• InChIKey: JXVVEJMHORDRLY-UXHICEINSA-N
• XLogP: 6.07
• TPSA: 107.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.76
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid?

The IUPAC name of [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid (CID 67361652) is [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid.

What is the SMILES notation for [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid?

The canonical SMILES for [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid is COc1ccc2c(c1)c(-c1cc3c(ncc4cnc([C@@H]5CC[C@H](NC(=O)O)C5)n43)n1COCC[Si](C)(C)C)cn2C.

What is the InChIKey of [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid?

The InChIKey is JXVVEJMHORDRLY-UXHICEINSA-N. The full InChI is InChI=1S/C30H38N6O4Si/c1-34-17-24(23-13-22(39-2)8-9-25(23)34)26-14-27-29(35(26)18-40-10-11-41(3,4)5)32-16-21-15-31-28(36(21)27)19-6-7-20(12-19)33-30(37)38/h8-9,13-17,19-20,33H,6-7,10-12,18H2,1-5H3,(H,37,38)/t19-,20+/m1/s1.

What are the key properties of [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid?

[(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid has a molecular weight of 574.76 g/mol, XLogP of 6.07, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R)-3-[4-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamic acid is sourced from PubChem (CID 67361652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).