tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate

C26H26N4O4 — CID 157238322

IUPACtert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C26H26N4O4/c1-26(2,3)34-25(33)27-14-20(31)13-17-9-11-18(12-10-17)21-15-30(19-7-5-4-6-8-19)23-22(21)24(32)29-16-28-23/h4-12,15-16H,13-14H2,1-3H3,(H,27,33)(H,28,29,32)
InChIKeyAUXGZJLYXCPSCM-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.02
Rot. Bonds6

About tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate

tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate (PubChem CID 157238322) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate
PubChem CID157238322
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Nametert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C26H26N4O4/c1-26(2,3)34-25(33)27-14-20(31)13-17-9-11-18(12-10-17)21-15-30(19-7-5-4-6-8-19)23-22(21)24(32)29-16-28-23/h4-12,15-16H,13-14H2,1-3H3,(H,27,33)(H,28,29,32)
InChIKeyAUXGZJLYXCPSCM-UHFFFAOYSA-N
XLogP4.02
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate;5-(4-isocyanophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane
CID 159560284
7-(4-iodophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135419385
2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 155247589
7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671456
tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
CID 159313712
[1-[4-[7-[4-[4-[7-(3-acetamidophenyl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]phenyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-2-methylpropan-2-yl] dihydrogen phosphate
CID 138555391
tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
CID 59029475
N,N-dimethyl-4-[7-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 135949441
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
tert-butyl N-[3-(3-chlorophenyl)-2-oxopropyl]carbamate
CID 59029504
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione
CID 177146096
tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
CID 58524660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate (CID 157238322) is tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Cc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.
What is the InChIKey of tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate?
The InChIKey is AUXGZJLYXCPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-26(2,3)34-25(33)27-14-20(31)13-17-9-11-18(12-10-17)21-15-30(19-7-5-4-6-8-19)23-22(21)24(32)29-16-28-23/h4-12,15-16H,13-14H2,1-3H3,(H,27,33)(H,28,29,32).
What are the key properties of tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate?
tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate has a molecular weight of 458.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate is sourced from PubChem (CID 157238322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).