N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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

C32H44FN7OSi — CID 58300008

IUPACN-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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)OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C32H44FN7OSi/c1-32(2,3)42(4,5)41-19-15-22-13-17-39(18-14-22)24-10-11-27(35-20-24)37-31-36-21-26-25-12-16-34-29(33)28(25)40(30(26)38-31)23-8-6-7-9-23/h10-12,16,20-23H,6-9,13-15,17-19H2,1-5H3,(H,35,36,37,38)
InChIKeyZZLKQETVTBWUPC-UHFFFAOYSA-N
MW589.84 g/mol
LogP8.00
Rot. Bonds8

About N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 58300008) has the molecular formula C32H44FN7OSi and a molecular weight of 589.84 g/mol. Its IUPAC name is N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 CID58300008
Molecular FormulaC32H44FN7OSi
Molecular Weight589.84 g/mol
Exact Mass589.34
IUPAC NameN-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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)OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C32H44FN7OSi/c1-32(2,3)42(4,5)41-19-15-22-13-17-39(18-14-22)24-10-11-27(35-20-24)37-31-36-21-26-25-12-16-34-29(33)28(25)40(30(26)38-31)23-8-6-7-9-23/h10-12,16,20-23H,6-9,13-15,17-19H2,1-5H3,(H,35,36,37,38)
InChIKeyZZLKQETVTBWUPC-UHFFFAOYSA-N
XLogP8.00
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.84
LogP ≤ 58.00
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 58300008) is N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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)OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 ZZLKQETVTBWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44FN7OSi/c1-32(2,3)42(4,5)41-19-15-22-13-17-39(18-14-22)24-10-11-27(35-20-24)37-31-36-21-26-25-12-16-34-29(33)28(25)40(30(26)38-31)23-8-6-7-9-23/h10-12,16,20-23H,6-9,13-15,17-19H2,1-5H3,(H,35,36,37,38).
What are the key properties of N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 589.84 g/mol, XLogP of 8.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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 58300008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).