8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine

C41H35Br2ClN8 — CID 143426739

IUPAC8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine
SMILESCc1ccc(-c2cc(NCc3ccccc3)c3ncc(Br)n3c2N)c(C)c1.Nc1c(-c2ccccc2Cl)cc(Nc2ccccc2)c2ncc(Br)n12
InChIInChI=1S/C22H21BrN4.C19H14BrClN4/c1-14-8-9-17(15(2)10-14)18-11-19(25-12-16-6-4-3-5-7-16)22-26-13-20(23)27(22)21(18)24;20-17-11-23-19-16(24-12-6-2-1-3-7-12)10-14(18(22)25(17)19)13-8-4-5-9-15(13)21/h3-11,13,25H,12,24H2,1-2H3;1-11,24H,22H2
InChIKeyIMXKWWBBZUBFQT-UHFFFAOYSA-N
MW835.05 g/mol
LogP11.32
Rot. Bonds7

About 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine

8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine (PubChem CID 143426739) has the molecular formula C41H35Br2ClN8 and a molecular weight of 835.05 g/mol. Its IUPAC name is 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine.

Molecular Properties

Compound Name8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine
PubChem CID143426739
Molecular FormulaC41H35Br2ClN8
Molecular Weight835.05 g/mol
Exact Mass832.10
IUPAC Name8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine
SMILESCc1ccc(-c2cc(NCc3ccccc3)c3ncc(Br)n3c2N)c(C)c1.Nc1c(-c2ccccc2Cl)cc(Nc2ccccc2)c2ncc(Br)n12
InChIInChI=1S/C22H21BrN4.C19H14BrClN4/c1-14-8-9-17(15(2)10-14)18-11-19(25-12-16-6-4-3-5-7-16)22-26-13-20(23)27(22)21(18)24;20-17-11-23-19-16(24-12-6-2-1-3-7-12)10-14(18(22)25(17)19)13-8-4-5-9-15(13)21/h3-11,13,25H,12,24H2,1-2H3;1-11,24H,22H2
InChIKeyIMXKWWBBZUBFQT-UHFFFAOYSA-N
XLogP11.32
TPSA110.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.05
LogP ≤ 511.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine with MolForge

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Related Compounds

4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 91634484
3-bromo-6-(2-chlorophenyl)-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]imidazo[1,2-a]pyridin-8-amine
CID 9982690
2-[2-Chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425315
2-[2-Chloro-3-(trifluoromethyl)phenyl]-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57500918
2-[2-Chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 87552033
2-(2-chlorophenyl)-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3-methylimidazo[1,2-a]pyridin-8-amine
CID 117835775
3-bromo-6-(3-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-6-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 157170083
3-(4-but-3-enyl-2-chloro-3-fluorophenyl)-N-[3-methyl-4-[1-[4-(1-piperidin-4-ylethenyl)piperazin-1-yl]ethenyl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 169622730
3-(2-chloro-4-ethyl-3-fluorophenyl)-N-[3-methyl-4-[1-[4-[1-(3-methylpiperidin-4-yl)ethenyl]piperazin-1-yl]ethenyl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 169622917
3-(4-but-3-enyl-2-chloro-3-fluorophenyl)-N-[3-methyl-4-[1-[4-[1-(3-methylpiperidin-4-yl)ethenyl]piperazin-1-yl]ethenyl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 169623297
2-[4-[(1-tert-butyltetrazol-5-yl)-(4-chloroanilino)methyl]phenyl]-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 135024453
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504

Frequently Asked Questions

What is the IUPAC name of 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine?
The IUPAC name of 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine (CID 143426739) is 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine.
What is the SMILES notation for 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine?
The canonical SMILES for 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine is Cc1ccc(-c2cc(NCc3ccccc3)c3ncc(Br)n3c2N)c(C)c1.Nc1c(-c2ccccc2Cl)cc(Nc2ccccc2)c2ncc(Br)n12.
What is the InChIKey of 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine?
The InChIKey is IMXKWWBBZUBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4.C19H14BrClN4/c1-14-8-9-17(15(2)10-14)18-11-19(25-12-16-6-4-3-5-7-16)22-26-13-20(23)27(22)21(18)24;20-17-11-23-19-16(24-12-6-2-1-3-7-12)10-14(18(22)25(17)19)13-8-4-5-9-15(13)21/h3-11,13,25H,12,24H2,1-2H3;1-11,24H,22H2.
What are the key properties of 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine?
8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine has a molecular weight of 835.05 g/mol, XLogP of 11.32, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-benzyl-3-bromo-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-phenylimidazo[1,2-a]pyridine-5,8-diamine is sourced from PubChem (CID 143426739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).