3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide

C24H20FN7O2 — CID 91174888

IUPAC3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)c(F)c1
InChIInChI=1S/C24H20FN7O2/c1-27-12-20-28-7-8-31(20)16-5-6-17(18(25)10-16)21-23(33)22-19(11-29-21)30-13-32(22)15-4-2-3-14(9-15)24(26)34/h2-11,13,27,33H,12H2,1H3,(H2,26,34)
InChIKeyLXIKVVDUUCKREB-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.94
Rot. Bonds6

About 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 91174888) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID91174888
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)c(F)c1
InChIInChI=1S/C24H20FN7O2/c1-27-12-20-28-7-8-31(20)16-5-6-17(18(25)10-16)21-23(33)22-19(11-29-21)30-13-32(22)15-4-2-3-14(9-15)24(26)34/h2-11,13,27,33H,12H2,1H3,(H2,26,34)
InChIKeyLXIKVVDUUCKREB-UHFFFAOYSA-N
XLogP2.94
TPSA123.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide 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

3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91353737
3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
CID 91405576
3-[6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91459904
6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
CID 90849978
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
CID 143223396
1-(3-chloropropyl)-3-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]urea
CID 70333949
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
1-(3-cyano-4-fluorophenyl)-N-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 142129946
[4-(2-fluorophenyl)-2-[[3-[3-(2-methylimidazol-1-yl)phenyl]-3-oxopropanoyl]amino]phenyl]carbamic acid
CID 22224856
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzamide
CID 55136863
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide (CID 91174888) is 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide is CNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)c(F)c1.
What is the InChIKey of 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is LXIKVVDUUCKREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-27-12-20-28-7-8-31(20)16-5-6-17(18(25)10-16)21-23(33)22-19(11-29-21)30-13-32(22)15-4-2-3-14(9-15)24(26)34/h2-11,13,27,33H,12H2,1H3,(H2,26,34).
What are the key properties of 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 457.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 91174888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).