tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate

C35H34N4O4 — CID 67205775

IUPACtert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate
SMILESCC(=O)Nc1cccc(-c2cnc3oc(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(-c4ccccc4)c3n2)c1
InChIInChI=1S/C35H34N4O4/c1-22(40)37-27-13-8-12-25(20-27)28-21-36-32-30(38-28)29(23-10-6-5-7-11-23)31(42-32)24-14-16-26(17-15-24)35(18-9-19-35)39-33(41)43-34(2,3)4/h5-8,10-17,20-21H,9,18-19H2,1-4H3,(H,37,40)(H,39,41)
InChIKeyGNPMPGJJRJCHEG-UHFFFAOYSA-N
MW574.68 g/mol
LogP8.09
Rot. Bonds6

About tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate (PubChem CID 67205775) has the molecular formula C35H34N4O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate
PubChem CID67205775
Molecular FormulaC35H34N4O4
Molecular Weight574.68 g/mol
Exact Mass574.26
IUPAC Nametert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate
SMILESCC(=O)Nc1cccc(-c2cnc3oc(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(-c4ccccc4)c3n2)c1
InChIInChI=1S/C35H34N4O4/c1-22(40)37-27-13-8-12-25(20-27)28-21-36-32-30(38-28)29(23-10-6-5-7-11-23)31(42-32)24-14-16-26(17-15-24)35(18-9-19-35)39-33(41)43-34(2,3)4/h5-8,10-17,20-21H,9,18-19H2,1-4H3,(H,37,40)(H,39,41)
InChIKeyGNPMPGJJRJCHEG-UHFFFAOYSA-N
XLogP8.09
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 86674394
tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67207846
tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 71073695
tert-butyl N-[1-[4-(3-methyl-2-methylsulfonyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67206656
tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207219
tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
CID 86671058
tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207519
tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
tert-butyl N-[1-[4-[3-ethyl-2-(2-hydroxyethylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 71073577
tert-butyl N-[1-[4-(6-chloro-3-phenyl-1,7-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 58524156
tert-butyl N-[1-[4-[5-[2-(2-hydroxyethylamino)phenyl]furo[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 123508774
tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 123488061

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate (CID 67205775) is tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate is CC(=O)Nc1cccc(-c2cnc3oc(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(-c4ccccc4)c3n2)c1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is GNPMPGJJRJCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O4/c1-22(40)37-27-13-8-12-25(20-27)28-21-36-32-30(38-28)29(23-10-6-5-7-11-23)31(42-32)24-14-16-26(17-15-24)35(18-9-19-35)39-33(41)43-34(2,3)4/h5-8,10-17,20-21H,9,18-19H2,1-4H3,(H,37,40)(H,39,41).
What are the key properties of tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 574.68 g/mol, XLogP of 8.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67205775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).