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

C25H23N7O2 — CID 91353737

IUPAC3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1
InChIInChI=1S/C25H23N7O2/c1-30(2)14-21-27-10-11-31(21)18-8-6-16(7-9-18)22-24(33)23-20(13-28-22)29-15-32(23)19-5-3-4-17(12-19)25(26)34/h3-13,15,33H,14H2,1-2H3,(H2,26,34)
InChIKeyPSRLMCVRMQWMCA-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.14
Rot. Bonds6

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

3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 91353737) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID91353737
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1
InChIInChI=1S/C25H23N7O2/c1-30(2)14-21-27-10-11-31(21)18-8-6-16(7-9-18)22-24(33)23-20(13-28-22)29-15-32(23)19-5-3-4-17(12-19)25(26)34/h3-13,15,33H,14H2,1-2H3,(H2,26,34)
InChIKeyPSRLMCVRMQWMCA-UHFFFAOYSA-N
XLogP3.14
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91174888
3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
CID 91405576
6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
CID 90849978
3-[6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91459904
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
CID 21061674
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 86299951
N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
CID 178011936
1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 90844831
(8aS)-2-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridine-8a-carboxamide
CID 18447942
1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20872126
ethyl 6-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]carbamoyl]-5,7-dioxo-1-(3-pyridin-4-ylphenyl)-4H-pyrazolo[4,5-d]pyrimidine-3-carboxylate
CID 10282881
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide (CID 91353737) is 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide is CN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1.
What is the InChIKey of 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is PSRLMCVRMQWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-30(2)14-21-27-10-11-31(21)18-8-6-16(7-9-18)22-24(33)23-20(13-28-22)29-15-32(23)19-5-3-4-17(12-19)25(26)34/h3-13,15,33H,14H2,1-2H3,(H2,26,34).
What are the key properties of 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 453.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 91353737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).