3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine

C38H30Br2Cl2N10 — CID 143426714

IUPAC3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine
SMILESCc1ccc(-c2cc(NCc3cccnc3)c3ncc(Br)n3c2N)c(Cl)c1.Nc1c(-c2ccccc2Cl)cc(Nc2cccnc2)c2ncc(Br)n12
InChIInChI=1S/C20H17BrClN5.C18H13BrClN5/c1-12-4-5-14(16(22)7-12)15-8-17(25-10-13-3-2-6-24-9-13)20-26-11-18(21)27(20)19(15)23;19-16-10-23-18-15(24-11-4-3-7-22-9-11)8-13(17(21)25(16)18)12-5-1-2-6-14(12)20/h2-9,11,25H,10,23H2,1H3;1-10,24H,21H2
InChIKeyUIVLXYCUDYEYBA-UHFFFAOYSA-N
MW857.44 g/mol
LogP10.45
Rot. Bonds7

About 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine

3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine (PubChem CID 143426714) has the molecular formula C38H30Br2Cl2N10 and a molecular weight of 857.44 g/mol. Its IUPAC name is 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine.

Molecular Properties

Compound Name3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine
PubChem CID143426714
Molecular FormulaC38H30Br2Cl2N10
Molecular Weight857.44 g/mol
Exact Mass854.04
IUPAC Name3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine
SMILESCc1ccc(-c2cc(NCc3cccnc3)c3ncc(Br)n3c2N)c(Cl)c1.Nc1c(-c2ccccc2Cl)cc(Nc2cccnc2)c2ncc(Br)n12
InChIInChI=1S/C20H17BrClN5.C18H13BrClN5/c1-12-4-5-14(16(22)7-12)15-8-17(25-10-13-3-2-6-24-9-13)20-26-11-18(21)27(20)19(15)23;19-16-10-23-18-15(24-11-4-3-7-22-9-11)8-13(17(21)25(16)18)12-5-1-2-6-14(12)20/h2-9,11,25H,10,23H2,1H3;1-10,24H,21H2
InChIKeyUIVLXYCUDYEYBA-UHFFFAOYSA-N
XLogP10.45
TPSA136.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.44
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine with MolForge

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Related Compounds

1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 135164616
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyridin-4-amine
CID 146257104
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyridin-2-amine
CID 146257107
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyrimidin-2-amine
CID 146257114
5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368727
(3-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo [1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
CID 66546138
1-(3-chloro-phenyl)-N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-ethane-1,2-diamine
CID 66546336
US10172843, Example 45
CID 121380103
5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368780
(2-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
CID 66548630
1-(3-chlorophenyl)-N-[4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]propane-1,3-diamine
CID 66548830
(2-Chloro-benzyl)-{6-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl}-pyridin-2-yl]-amine
CID 66548833

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine?
The IUPAC name of 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine (CID 143426714) is 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine.
What is the SMILES notation for 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine?
The canonical SMILES for 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine is Cc1ccc(-c2cc(NCc3cccnc3)c3ncc(Br)n3c2N)c(Cl)c1.Nc1c(-c2ccccc2Cl)cc(Nc2cccnc2)c2ncc(Br)n12.
What is the InChIKey of 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine?
The InChIKey is UIVLXYCUDYEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN5.C18H13BrClN5/c1-12-4-5-14(16(22)7-12)15-8-17(25-10-13-3-2-6-24-9-13)20-26-11-18(21)27(20)19(15)23;19-16-10-23-18-15(24-11-4-3-7-22-9-11)8-13(17(21)25(16)18)12-5-1-2-6-14(12)20/h2-9,11,25H,10,23H2,1H3;1-10,24H,21H2.
What are the key properties of 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine?
3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine has a molecular weight of 857.44 g/mol, XLogP of 10.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine is sourced from PubChem (CID 143426714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).