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

C31H43FN8OSi — CID 58299773

IUPACN-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C31H43FN8OSi/c1-31(2,3)42(4,5)41-19-18-38-14-16-39(17-15-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-13-33-28(32)27(24)40(29(25)37-30)22-8-6-7-9-22/h10-13,20-22H,6-9,14-19H2,1-5H3,(H,34,35,36,37)
InChIKeyOMKBQQSRWZPGJW-UHFFFAOYSA-N
MW590.82 g/mol
LogP6.52
Rot. Bonds8

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

N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299773) has the molecular formula C31H43FN8OSi and a molecular weight of 590.82 g/mol. Its IUPAC name is N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound NameN-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299773
Molecular FormulaC31H43FN8OSi
Molecular Weight590.82 g/mol
Exact Mass590.33
IUPAC NameN-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C31H43FN8OSi/c1-31(2,3)42(4,5)41-19-18-38-14-16-39(17-15-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-13-33-28(32)27(24)40(29(25)37-30)22-8-6-7-9-22/h10-13,20-22H,6-9,14-19H2,1-5H3,(H,34,35,36,37)
InChIKeyOMKBQQSRWZPGJW-UHFFFAOYSA-N
XLogP6.52
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.82
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-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 N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299773) is N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-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 N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-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 N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is OMKBQQSRWZPGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FN8OSi/c1-31(2,3)42(4,5)41-19-18-38-14-16-39(17-15-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-13-33-28(32)27(24)40(29(25)37-30)22-8-6-7-9-22/h10-13,20-22H,6-9,14-19H2,1-5H3,(H,34,35,36,37).
What are the key properties of N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-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 590.82 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-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 58299773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).