10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C31H43ClN8OSi — CID 88936533

About 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 88936533) has the molecular formula C31H43ClN8OSi and a molecular weight of 607.28 g/mol. Its IUPAC name is 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

• Compound Name: 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• PubChem CID: 88936533
• Molecular Formula: C31H43ClN8OSi
• Molecular Weight: 607.28 g/mol
• Exact Mass: 606.30
• IUPAC Name: 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• SMILES: CC(C)(CCCN1CCN(c2ccc(Nc3ncc4c5ccnc(Cl)c5n(C5CCCC5)c4n3)nc2)CC1)[Si](C)(C)O
• InChI: InChI=1S/C31H43ClN8OSi/c1-31(2,42(3,4)41)13-7-15-38-16-18-39(19-17-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-14-33-28(32)27(24)40(29(25)37-30)22-8-5-6-9-22/h10-12,14,20-22,41H,5-9,13,15-19H2,1-4H3,(H,34,35,36,37)
• InChIKey: IBKGRMCXXYJZOC-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 95.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.28
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The IUPAC name of 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 88936533) is 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

What is the SMILES notation for 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The canonical SMILES for 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC(C)(CCCN1CCN(c2ccc(Nc3ncc4c5ccnc(Cl)c5n(C5CCCC5)c4n3)nc2)CC1)[Si](C)(C)O.

What is the InChIKey of 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The InChIKey is IBKGRMCXXYJZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43ClN8OSi/c1-31(2,42(3,4)41)13-7-15-38-16-18-39(19-17-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-14-33-28(32)27(24)40(29(25)37-30)22-8-5-6-9-22/h10-12,14,20-22,41H,5-9,13,15-19H2,1-4H3,(H,34,35,36,37).

What are the key properties of 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 607.28 g/mol, XLogP of 6.77, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-chloro-8-cyclopentyl-N-[5-[4-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]piperazin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 88936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).