N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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

C31H42FN7OSi — CID 58300053

IUPACN-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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)OCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C31H42FN7OSi/c1-31(2,3)41(4,5)40-20-21-13-16-38(17-14-21)23-10-11-26(34-18-23)36-30-35-19-25-24-12-15-33-28(32)27(24)39(29(25)37-30)22-8-6-7-9-22/h10-12,15,18-19,21-22H,6-9,13-14,16-17,20H2,1-5H3,(H,34,35,36,37)
InChIKeyHEYOEGCTJTXMEO-UHFFFAOYSA-N
MW575.81 g/mol
LogP7.61
Rot. Bonds7

About N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 58300053) has the molecular formula C31H42FN7OSi and a molecular weight of 575.81 g/mol. Its IUPAC name is N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 CID58300053
Molecular FormulaC31H42FN7OSi
Molecular Weight575.81 g/mol
Exact Mass575.32
IUPAC NameN-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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)OCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C31H42FN7OSi/c1-31(2,3)41(4,5)40-20-21-13-16-38(17-14-21)23-10-11-26(34-18-23)36-30-35-19-25-24-12-15-33-28(32)27(24)39(29(25)37-30)22-8-6-7-9-22/h10-12,15,18-19,21-22H,6-9,13-14,16-17,20H2,1-5H3,(H,34,35,36,37)
InChIKeyHEYOEGCTJTXMEO-UHFFFAOYSA-N
XLogP7.61
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.81
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 58300053) is N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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)OCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 HEYOEGCTJTXMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42FN7OSi/c1-31(2,3)41(4,5)40-20-21-13-16-38(17-14-21)23-10-11-26(34-18-23)36-30-35-19-25-24-12-15-33-28(32)27(24)39(29(25)37-30)22-8-6-7-9-22/h10-12,15,18-19,21-22H,6-9,13-14,16-17,20H2,1-5H3,(H,34,35,36,37).
What are the key properties of N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 575.81 g/mol, XLogP of 7.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-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 58300053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).