4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

C25H20FN5O2 — CID 122431365

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H20FN5O2/c1-2-33-23-12-20(15-3-6-17(26)7-4-15)29-21-11-16(5-8-18(21)23)25(32)28-14-24-30-19-9-10-27-13-22(19)31-24/h3-13H,2,14H2,1H3,(H,28,32)(H,30,31)
InChIKeyUUKRVRDFRBVWNL-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.64
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431365) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
PubChem CID122431365
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H20FN5O2/c1-2-33-23-12-20(15-3-6-17(26)7-4-15)29-21-11-16(5-8-18(21)23)25(32)28-14-24-30-19-9-10-27-13-22(19)31-24/h3-13H,2,14H2,1H3,(H,28,32)(H,30,31)
InChIKeyUUKRVRDFRBVWNL-UHFFFAOYSA-N
XLogP4.64
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide 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

NG-25
CID 53340664
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-1-oxido-6-phenylpyridin-1-ium
CID 24901689
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-6-(4-fluorophenyl)-1-oxidopyridin-1-ium
CID 24901690
TLX agonist 10
CID 162679531
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 44563190
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881514
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881516
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881563
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (CID 122431365) is 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The InChIKey is UUKRVRDFRBVWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-2-33-23-12-20(15-3-6-17(26)7-4-15)29-21-11-16(5-8-18(21)23)25(32)28-14-24-30-19-9-10-27-13-22(19)31-24/h3-13H,2,14H2,1H3,(H,28,32)(H,30,31).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).