4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol

C24H25N5O2 — CID 178174168

IUPAC4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cc(-c2nc3ccncc3n2-c2ccc(N3CCN(C)CC3)cc2)c(O)cc1O
InChIInChI=1S/C24H25N5O2/c1-16-13-19(23(31)14-22(16)30)24-26-20-7-8-25-15-21(20)29(24)18-5-3-17(4-6-18)28-11-9-27(2)10-12-28/h3-8,13-15,30-31H,9-12H2,1-2H3
InChIKeyWJCFUTGRZKEMTF-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.56
Rot. Bonds3

About 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol

4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol (PubChem CID 178174168) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
PubChem CID178174168
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cc(-c2nc3ccncc3n2-c2ccc(N3CCN(C)CC3)cc2)c(O)cc1O
InChIInChI=1S/C24H25N5O2/c1-16-13-19(23(31)14-22(16)30)24-26-20-7-8-25-15-21(20)29(24)18-5-3-17(4-6-18)28-11-9-27(2)10-12-28/h3-8,13-15,30-31H,9-12H2,1-2H3
InChIKeyWJCFUTGRZKEMTF-UHFFFAOYSA-N
XLogP3.56
TPSA77.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-2-pyridinyl]morpholine
CID 86268999
2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol
CID 138566809
4-iodo-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136885922
2-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,4-diol
CID 136903815
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345030
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348
3-(4-fluorophenyl)-2-[6-(4-methylsulfanylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
CID 166766311
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
CID 178120438
amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
CID 135215337
3-(4-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine
CID 24856151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol (CID 178174168) is 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol is Cc1cc(-c2nc3ccncc3n2-c2ccc(N3CCN(C)CC3)cc2)c(O)cc1O.
What is the InChIKey of 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is WJCFUTGRZKEMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-13-19(23(31)14-22(16)30)24-26-20-7-8-25-15-21(20)29(24)18-5-3-17(4-6-18)28-11-9-27(2)10-12-28/h3-8,13-15,30-31H,9-12H2,1-2H3.
What are the key properties of 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?
4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 415.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 178174168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).