3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide

C28H26FN5O2 — CID 18753781

IUPAC3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C28H26FN5O2/c1-33(2)15-19-6-3-4-9-21(19)17-10-11-22(23(29)13-17)25-27(35)26-24(14-31-25)32-16-34(26)20-8-5-7-18(12-20)28(30)36/h3-13,16,25,31H,14-15H2,1-2H3,(H2,30,36)
InChIKeyXDHGNJXBRHVEKQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.87
Rot. Bonds6

About 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 18753781) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID18753781
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C28H26FN5O2/c1-33(2)15-19-6-3-4-9-21(19)17-10-11-22(23(29)13-17)25-27(35)26-24(14-31-25)32-16-34(26)20-8-5-7-18(12-20)28(30)36/h3-13,16,25,31H,14-15H2,1-2H3,(H2,30,36)
InChIKeyXDHGNJXBRHVEKQ-UHFFFAOYSA-N
XLogP3.87
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide (CID 18753781) is 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide is CN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1.
What is the InChIKey of 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is XDHGNJXBRHVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-33(2)15-19-6-3-4-9-21(19)17-10-11-22(23(29)13-17)25-27(35)26-24(14-31-25)32-16-34(26)20-8-5-7-18(12-20)28(30)36/h3-13,16,25,31H,14-15H2,1-2H3,(H2,30,36).
What are the key properties of 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 18753781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).