2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

C26H18F2N4O — CID 162687627

IUPAC2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cc(F)cnc3c2-c2ccccc2)ccn1
InChIInChI=1S/C26H18F2N4O/c27-19-8-6-16(7-9-19)12-23(33)32-22-13-18(10-11-29-22)25-24(17-4-2-1-3-5-17)26-21(31-25)14-20(28)15-30-26/h1-11,13-15,31H,12H2,(H,29,32,33)
InChIKeyZPGJWXXQFLAVAY-UHFFFAOYSA-N
MW440.45 g/mol
LogP5.75
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 162687627) has the molecular formula C26H18F2N4O and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID162687627
Molecular FormulaC26H18F2N4O
Molecular Weight440.45 g/mol
Exact Mass440.14
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cc(F)cnc3c2-c2ccccc2)ccn1
InChIInChI=1S/C26H18F2N4O/c27-19-8-6-16(7-9-19)12-23(33)32-22-13-18(10-11-29-22)25-24(17-4-2-1-3-5-17)26-21(31-25)14-20(28)15-30-26/h1-11,13-15,31H,12H2,(H,29,32,33)
InChIKeyZPGJWXXQFLAVAY-UHFFFAOYSA-N
XLogP5.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 67243289
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 154674495
2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 169116046
N-[4-[6-chloro-3-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 121411975
2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431841
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(6-methoxy-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]butanamide
CID 170425628
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254
2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 154674326

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (CID 162687627) is 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cc(F)cnc3c2-c2ccccc2)ccn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is ZPGJWXXQFLAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O/c27-19-8-6-16(7-9-19)12-23(33)32-22-13-18(10-11-29-22)25-24(17-4-2-1-3-5-17)26-21(31-25)14-20(28)15-30-26/h1-11,13-15,31H,12H2,(H,29,32,33).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 440.45 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 162687627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).