N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

C24H24FN5O2 — CID 134805765

IUPACN-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccc(O)c(F)c3)cc2n1C
InChIInChI=1S/C24H24FN5O2/c1-29(2)12-11-26-24(32)23-28-22-19(30(23)3)14-17(16-9-10-20(31)18(25)13-16)21(27-22)15-7-5-4-6-8-15/h4-10,13-14,31H,11-12H2,1-3H3,(H,26,32)
InChIKeyBOKASCDJBQZUGA-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134805765) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134805765
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccc(O)c(F)c3)cc2n1C
InChIInChI=1S/C24H24FN5O2/c1-29(2)12-11-26-24(32)23-28-22-19(30(23)3)14-17(16-9-10-20(31)18(25)13-16)21(27-22)15-7-5-4-6-8-15/h4-10,13-14,31H,11-12H2,1-3H3,(H,26,32)
InChIKeyBOKASCDJBQZUGA-UHFFFAOYSA-N
XLogP3.44
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (CID 134805765) is N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is CN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccc(O)c(F)c3)cc2n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is BOKASCDJBQZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-29(2)12-11-26-24(32)23-28-22-19(30(23)3)14-17(16-9-10-20(31)18(25)13-16)21(27-22)15-7-5-4-6-8-15/h4-10,13-14,31H,11-12H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134805765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).