6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine

C52H44BrN21O2 — CID 159446062

IUPAC6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Cn2cnc3cnc(Br)cc32)cc1.[C-]#[N+]c1ncc(N)nc1C.[C-]#[N+]c1ncc(Nc2cc3c(cn2)ncn3Cc2ccc(OC)cc2)nc1C.[C-]#[N+]c1ncc(Nc2cc3nc[nH]c3cn2)nc1C
InChIInChI=1S/C20H17N7O.C14H12BrN3O.C12H9N7.C6H6N4/c1-13-20(21-2)23-10-19(25-13)26-18-8-17-16(9-22-18)24-12-27(17)11-14-4-6-15(28-3)7-5-14;1-19-11-4-2-10(3-5-11)8-18-9-17-12-7-16-14(15)6-13(12)18;1-7-12(13-2)15-5-11(18-7)19-10-3-8-9(4-14-10)17-6-16-8;1-4-6(8-2)9-3-5(7)10-4/h4-10,12H,11H2,1,3H3,(H,22,25,26);2-7,9H,8H2,1H3;3-6H,1H3,(H,16,17)(H,14,18,19);3H,1H3,(H2,7,10)
InChIKeyLSTXCJSOGGRAEI-UHFFFAOYSA-N
MW1074.97 g/mol
LogP10.40
Rot. Bonds10

About 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine

6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 159446062) has the molecular formula C52H44BrN21O2 and a molecular weight of 1074.97 g/mol. Its IUPAC name is 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
PubChem CID159446062
Molecular FormulaC52H44BrN21O2
Molecular Weight1074.97 g/mol
Exact Mass1073.32
IUPAC Name6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Cn2cnc3cnc(Br)cc32)cc1.[C-]#[N+]c1ncc(N)nc1C.[C-]#[N+]c1ncc(Nc2cc3c(cn2)ncn3Cc2ccc(OC)cc2)nc1C.[C-]#[N+]c1ncc(Nc2cc3nc[nH]c3cn2)nc1C
InChIInChI=1S/C20H17N7O.C14H12BrN3O.C12H9N7.C6H6N4/c1-13-20(21-2)23-10-19(25-13)26-18-8-17-16(9-22-18)24-12-27(17)11-14-4-6-15(28-3)7-5-14;1-19-11-4-2-10(3-5-11)8-18-9-17-12-7-16-14(15)6-13(12)18;1-7-12(13-2)15-5-11(18-7)19-10-3-8-9(4-14-10)17-6-16-8;1-4-6(8-2)9-3-5(7)10-4/h4-10,12H,11H2,1,3H3,(H,22,25,26);2-7,9H,8H2,1H3;3-6H,1H3,(H,16,17)(H,14,18,19);3H,1H3,(H2,7,10)
InChIKeyLSTXCJSOGGRAEI-UHFFFAOYSA-N
XLogP10.40
TPSA261.95 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.97
LogP ≤ 510.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridine
CID 46866785
6-Bromo-7-(4-cyclopropylmethyl-piperazin-1-yl)-2-(4-methoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 46866787
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683150
6-bromo-2-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70687386
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689443
6-bromo-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 127040340
N5-(4-methoxybenzyl)-N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridine-2,5-diamine
CID 59548168
5-((4-methoxyphenylamino)methyl)-N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548297
5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
CID 59548363

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine (CID 159446062) is 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine is COc1ccc(Cn2cnc3cnc(Br)cc32)cc1.[C-]#[N+]c1ncc(N)nc1C.[C-]#[N+]c1ncc(Nc2cc3c(cn2)ncn3Cc2ccc(OC)cc2)nc1C.[C-]#[N+]c1ncc(Nc2cc3nc[nH]c3cn2)nc1C.
What is the InChIKey of 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is LSTXCJSOGGRAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O.C14H12BrN3O.C12H9N7.C6H6N4/c1-13-20(21-2)23-10-19(25-13)26-18-8-17-16(9-22-18)24-12-27(17)11-14-4-6-15(28-3)7-5-14;1-19-11-4-2-10(3-5-11)8-18-9-17-12-7-16-14(15)6-13(12)18;1-7-12(13-2)15-5-11(18-7)19-10-3-8-9(4-14-10)17-6-16-8;1-4-6(8-2)9-3-5(7)10-4/h4-10,12H,11H2,1,3H3,(H,22,25,26);2-7,9H,8H2,1H3;3-6H,1H3,(H,16,17)(H,14,18,19);3H,1H3,(H2,7,10).
What are the key properties of 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine?
6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 1074.97 g/mol, XLogP of 10.40, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine;5-isocyano-6-methylpyrazin-2-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridin-6-amine;N-(5-isocyano-6-methylpyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 159446062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).