7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine

C18H13BrCl2N6 — CID 67388081

IUPAC7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2ncc(Br)c3nc(-c4c(Cl)cccc4Cl)[nH]c23)nc(C)n1
InChIInChI=1S/C18H13BrCl2N6/c1-8-6-13(24-9(2)23-8)25-18-16-15(10(19)7-22-18)26-17(27-16)14-11(20)4-3-5-12(14)21/h3-7H,1-2H3,(H,26,27)(H,22,23,24,25)
InChIKeyPZICVSLWQGUEPP-UHFFFAOYSA-N
MW464.15 g/mol
LogP5.84
Rot. Bonds3

About 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine

7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 67388081) has the molecular formula C18H13BrCl2N6 and a molecular weight of 464.15 g/mol. Its IUPAC name is 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine
PubChem CID67388081
Molecular FormulaC18H13BrCl2N6
Molecular Weight464.15 g/mol
Exact Mass461.98
IUPAC Name7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2ncc(Br)c3nc(-c4c(Cl)cccc4Cl)[nH]c23)nc(C)n1
InChIInChI=1S/C18H13BrCl2N6/c1-8-6-13(24-9(2)23-8)25-18-16-15(10(19)7-22-18)26-17(27-16)14-11(20)4-3-5-12(14)21/h3-7H,1-2H3,(H,26,27)(H,22,23,24,25)
InChIKeyPZICVSLWQGUEPP-UHFFFAOYSA-N
XLogP5.84
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.15
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387539
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612
2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383768
2,6-dimethyl-N-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-amine
CID 163902461
2-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67388167
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
CID 67383893
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
[2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
CID 67383781
5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile
CID 67383519
2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol
CID 67383342
8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine
CID 67382661
8-(2,6-dichlorophenyl)-3,7-dihydropurine-2,6-dione
CID 114402874

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine (CID 67388081) is 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine is Cc1cc(Nc2ncc(Br)c3nc(-c4c(Cl)cccc4Cl)[nH]c23)nc(C)n1.
What is the InChIKey of 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is PZICVSLWQGUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N6/c1-8-6-13(24-9(2)23-8)25-18-16-15(10(19)7-22-18)26-17(27-16)14-11(20)4-3-5-12(14)21/h3-7H,1-2H3,(H,26,27)(H,22,23,24,25).
What are the key properties of 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine?
7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 464.15 g/mol, XLogP of 5.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67388081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).