tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate

C47H51ClN6O5Si — CID 11228239

IUPACtert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cncc(-c2cc(N(CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)OCc3ccccc3)cnc2N)n1
InChIInChI=1S/C47H51ClN6O5Si/c1-46(2,3)59-45(56)54(36-21-16-20-35(48)28-36)42-32-50-31-41(52-42)40-29-37(30-51-43(40)49)53(44(55)57-33-34-18-10-7-11-19-34)26-17-27-58-60(47(4,5)6,38-22-12-8-13-23-38)39-24-14-9-15-25-39/h7-16,18-25,28-32H,17,26-27,33H2,1-6H3,(H2,49,51)
InChIKeyDOVMKUGQHPLKGJ-UHFFFAOYSA-N
MW843.50 g/mol
LogP9.96
Rot. Bonds13

About tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate

tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate (PubChem CID 11228239) has the molecular formula C47H51ClN6O5Si and a molecular weight of 843.50 g/mol. Its IUPAC name is tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate
PubChem CID11228239
Molecular FormulaC47H51ClN6O5Si
Molecular Weight843.50 g/mol
Exact Mass842.34
IUPAC Nametert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cncc(-c2cc(N(CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)OCc3ccccc3)cnc2N)n1
InChIInChI=1S/C47H51ClN6O5Si/c1-46(2,3)59-45(56)54(36-21-16-20-35(48)28-36)42-32-50-31-41(52-42)40-29-37(30-51-43(40)49)53(44(55)57-33-34-18-10-7-11-19-34)26-17-27-58-60(47(4,5)6,38-22-12-8-13-23-38)39-24-14-9-15-25-39/h7-16,18-25,28-32H,17,26-27,33H2,1-6H3,(H2,49,51)
InChIKeyDOVMKUGQHPLKGJ-UHFFFAOYSA-N
XLogP9.96
TPSA133.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.50
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate with MolForge

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Related Compounds

[4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-3-pyridinyl] trifluoromethanesulfonate
CID 21300379
tert-butyl N-(3-chlorophenyl)-N-[6-(2-iodo-1,3-oxazol-5-yl)pyrazin-2-yl]carbamate
CID 11488891
tert-butyl N-[5-[6-[4-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-3-pyridinyl]-N-(3-pyridin-4-ylpropyl)carbamate
CID 21300385
methyl 4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-2-carboxylate
CID 21300365
benzyl 5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 123263699
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
ethyl 5-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrimidin-4-yl]pyridine-3-carboxylate
CID 10139077
3-O-benzyl 1-O-tert-butyl 2-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]propanedioate
CID 166561326
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
CID 168947827
5-[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 11153992
5-chloro-2-[2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]ethoxy]benzoic acid
CID 57291322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate?
The IUPAC name of tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate (CID 11228239) is tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate?
The canonical SMILES for tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate is CC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cncc(-c2cc(N(CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)OCc3ccccc3)cnc2N)n1.
What is the InChIKey of tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate?
The InChIKey is DOVMKUGQHPLKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51ClN6O5Si/c1-46(2,3)59-45(56)54(36-21-16-20-35(48)28-36)42-32-50-31-41(52-42)40-29-37(30-51-43(40)49)53(44(55)57-33-34-18-10-7-11-19-34)26-17-27-58-60(47(4,5)6,38-22-12-8-13-23-38)39-24-14-9-15-25-39/h7-16,18-25,28-32H,17,26-27,33H2,1-6H3,(H2,49,51).
What are the key properties of tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate?
tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate has a molecular weight of 843.50 g/mol, XLogP of 9.96, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-amino-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl-phenylmethoxycarbonylamino]-3-pyridinyl]pyrazin-2-yl]-N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 11228239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).