[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate

C24H23BrN4O2 — CID 154702120

IUPAC[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
SMILESCC(C)(C)Nc1c(-c2ccc(OC(=O)Nc3ccccc3)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C24H23BrN4O2/c1-24(2,3)28-22-21(27-20-14-11-17(25)15-29(20)22)16-9-12-19(13-10-16)31-23(30)26-18-7-5-4-6-8-18/h4-15,28H,1-3H3,(H,26,30)
InChIKeyBUZWKKGZHOAWPM-UHFFFAOYSA-N
MW479.38 g/mol
LogP6.59
Rot. Bonds4

About [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate

[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate (PubChem CID 154702120) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
PubChem CID154702120
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
SMILESCC(C)(C)Nc1c(-c2ccc(OC(=O)Nc3ccccc3)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C24H23BrN4O2/c1-24(2,3)28-22-21(27-20-14-11-17(25)15-29(20)22)16-9-12-19(13-10-16)31-23(30)26-18-7-5-4-6-8-18/h4-15,28H,1-3H3,(H,26,30)
InChIKeyBUZWKKGZHOAWPM-UHFFFAOYSA-N
XLogP6.59
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
CID 154702151
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-fluorobenzoate
CID 5038944
6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 3900108
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4521142
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 2-fluorobenzoate
CID 42658934
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 5099661
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694129
1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol
CID 70291269
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] butanoate
CID 4221332

Frequently Asked Questions

What is the IUPAC name of [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate?
The IUPAC name of [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate (CID 154702120) is [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate?
The canonical SMILES for [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate is CC(C)(C)Nc1c(-c2ccc(OC(=O)Nc3ccccc3)cc2)nc2ccc(Br)cn12.
What is the InChIKey of [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate?
The InChIKey is BUZWKKGZHOAWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c1-24(2,3)28-22-21(27-20-14-11-17(25)15-29(20)22)16-9-12-19(13-10-16)31-23(30)26-18-7-5-4-6-8-18/h4-15,28H,1-3H3,(H,26,30).
What are the key properties of [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate?
[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate has a molecular weight of 479.38 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate is sourced from PubChem (CID 154702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).