(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate

C27H27BrN4O2 — CID 154702151

IUPAC(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
SMILESCc1ccc(OC(=O)Nc2ccc(-c3nc4ccc(Br)cn4c3NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27BrN4O2/c1-18-7-14-23(15-8-18)34-27(33)30-22-12-9-19(10-13-22)25-26(29-21-5-3-2-4-6-21)32-17-20(28)11-16-24(32)31-25/h7-17,21,29H,2-6H2,1H3,(H,30,33)
InChIKeyDUKNATMVRUTDFT-UHFFFAOYSA-N
MW519.44 g/mol
LogP7.43
Rot. Bonds5

About (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate

(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate (PubChem CID 154702151) has the molecular formula C27H27BrN4O2 and a molecular weight of 519.44 g/mol. Its IUPAC name is (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
PubChem CID154702151
Molecular FormulaC27H27BrN4O2
Molecular Weight519.44 g/mol
Exact Mass518.13
IUPAC Name(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
SMILESCc1ccc(OC(=O)Nc2ccc(-c3nc4ccc(Br)cn4c3NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27BrN4O2/c1-18-7-14-23(15-8-18)34-27(33)30-22-12-9-19(10-13-22)25-26(29-21-5-3-2-4-6-21)32-17-20(28)11-16-24(32)31-25/h7-17,21,29H,2-6H2,1H3,(H,30,33)
InChIKeyDUKNATMVRUTDFT-UHFFFAOYSA-N
XLogP7.43
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate with MolForge

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Related Compounds

[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
CID 154702120
6-bromo-N-cyclohexyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1154359
6-bromo-2-(4-chlorophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine
CID 1154272
[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
CID 1195024
4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
N-cyclohexyl-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1071670
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
6-bromo-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 3670633
6-bromo-N-cyclohexyl-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4589362
6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 155528689
CID 46944507
CID 46944507
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate?
The IUPAC name of (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate (CID 154702151) is (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate.
What is the SMILES notation for (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate?
The canonical SMILES for (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate is Cc1ccc(OC(=O)Nc2ccc(-c3nc4ccc(Br)cn4c3NC3CCCCC3)cc2)cc1.
What is the InChIKey of (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate?
The InChIKey is DUKNATMVRUTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN4O2/c1-18-7-14-23(15-8-18)34-27(33)30-22-12-9-19(10-13-22)25-26(29-21-5-3-2-4-6-21)32-17-20(28)11-16-24(32)31-25/h7-17,21,29H,2-6H2,1H3,(H,30,33).
What are the key properties of (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate?
(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate has a molecular weight of 519.44 g/mol, XLogP of 7.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate is sourced from PubChem (CID 154702151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).