tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate

C28H34N4O4 — CID 165133411

IUPACtert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
SMILESCC/C=C\C1=C(C)C(=O)N(Cc2cn3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3n2)C1=O
InChIInChI=1S/C28H34N4O4/c1-6-7-8-22-17(2)25(33)32(26(22)34)16-21-15-30-12-19(18-9-10-18)11-23(24(30)29-21)20-13-31(14-20)27(35)36-28(3,4)5/h7-8,11-12,15,18,20H,6,9-10,13-14,16H2,1-5H3/b8-7-
InChIKeyULOOGXJJXVKVPS-FPLPWBNLSA-N
MW490.60 g/mol
LogP4.70
Rot. Bonds6

About tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate

tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate (PubChem CID 165133411) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
PubChem CID165133411
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Nametert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
SMILESCC/C=C\C1=C(C)C(=O)N(Cc2cn3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3n2)C1=O
InChIInChI=1S/C28H34N4O4/c1-6-7-8-22-17(2)25(33)32(26(22)34)16-21-15-30-12-19(18-9-10-18)11-23(24(30)29-21)20-13-31(14-20)27(35)36-28(3,4)5/h7-8,11-12,15,18,20H,6,9-10,13-14,16H2,1-5H3/b8-7-
InChIKeyULOOGXJJXVKVPS-FPLPWBNLSA-N
XLogP4.70
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165131617
tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
CID 139499218
tert-butyl (1R,5S)-7-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 97178628
tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
CID 165131798
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
CID 162735592
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133
tert-butyl (5R)-2,4-dioxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 87310184
[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
CID 170774692
tert-butyl 3-(3-bromo-4-cyclopropylphenyl)azetidine-1-carboxylate
CID 172992190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate (CID 165133411) is tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate is CC/C=C\C1=C(C)C(=O)N(Cc2cn3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3n2)C1=O.
What is the InChIKey of tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate?
The InChIKey is ULOOGXJJXVKVPS-FPLPWBNLSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-6-7-8-22-17(2)25(33)32(26(22)34)16-21-15-30-12-19(18-9-10-18)11-23(24(30)29-21)20-13-31(14-20)27(35)36-28(3,4)5/h7-8,11-12,15,18,20H,6,9-10,13-14,16H2,1-5H3/b8-7-.
What are the key properties of tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate?
tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate is sourced from PubChem (CID 165133411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).