tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate

C29H27BrN4O4 — CID 76613352

IUPACtert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(-c2cn3cccc(Br)c3n2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C29H27BrN4O4/c1-29(2,3)38-28(37)31-20(16-34-26(35)21-7-4-5-8-22(21)27(34)36)15-18-10-12-19(13-11-18)24-17-33-14-6-9-23(30)25(33)32-24/h4-14,17,20H,15-16H2,1-3H3,(H,31,37)
InChIKeyAJOQCKKKNGXKFE-UHFFFAOYSA-N
MW575.46 g/mol
LogP5.50
Rot. Bonds6

About tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate

tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate (PubChem CID 76613352) has the molecular formula C29H27BrN4O4 and a molecular weight of 575.46 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate
PubChem CID76613352
Molecular FormulaC29H27BrN4O4
Molecular Weight575.46 g/mol
Exact Mass574.12
IUPAC Nametert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(-c2cn3cccc(Br)c3n2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C29H27BrN4O4/c1-29(2,3)38-28(37)31-20(16-34-26(35)21-7-4-5-8-22(21)27(34)36)15-18-10-12-19(13-11-18)24-17-33-14-6-9-23(30)25(33)32-24/h4-14,17,20H,15-16H2,1-3H3,(H,31,37)
InChIKeyAJOQCKKKNGXKFE-UHFFFAOYSA-N
XLogP5.50
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-Bromo-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
CID 50914592
N-Cyclopropyl-4-(8-isobutylamino-6-phenyl-imidazo[1,2-a]pyrazin-3-yl)-benzamide
CID 50914875
N-Cyclopropyl-4-[8-[(phenylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379119
4-{5-bromo-8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}-N-cyclopropylbenzamide
CID 57381656
4-tert-butyl-N-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175417
N-Methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 134814488
2-Bromo-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzamide
CID 16031318
N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71518707
N-(2-aminophenyl)-4-[2-[[(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoyl]amino]ethyl]benzamide
CID 122181811
N-(2-aminophenyl)-4-[2-[[(E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 122181813
N-cyclopropyl-4-[8-(phenylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 126473390
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide
CID 127025006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate (CID 76613352) is tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccc(-c2cn3cccc(Br)c3n2)cc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate?
The InChIKey is AJOQCKKKNGXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4O4/c1-29(2,3)38-28(37)31-20(16-34-26(35)21-7-4-5-8-22(21)27(34)36)15-18-10-12-19(13-11-18)24-17-33-14-6-9-23(30)25(33)32-24/h4-14,17,20H,15-16H2,1-3H3,(H,31,37).
What are the key properties of tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate?
tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate has a molecular weight of 575.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 76613352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).