1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide

C26H18F2N4O3 — CID 21081760

IUPAC1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H18F2N4O3/c27-17-5-3-16(4-6-17)15-32-13-1-2-20(26(32)34)25(33)31-18-7-8-23(21(28)14-18)35-22-10-12-30-24-19(22)9-11-29-24/h1-14H,15H2,(H,29,30)(H,31,33)
InChIKeyDIDIVIXODOFLFJ-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.10
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 21081760) has the molecular formula C26H18F2N4O3 and a molecular weight of 472.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID21081760
Molecular FormulaC26H18F2N4O3
Molecular Weight472.45 g/mol
Exact Mass472.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H18F2N4O3/c27-17-5-3-16(4-6-17)15-32-13-1-2-20(26(32)34)25(33)31-18-7-8-23(21(28)14-18)35-22-10-12-30-24-19(22)9-11-29-24/h1-14H,15H2,(H,29,30)(H,31,33)
InChIKeyDIDIVIXODOFLFJ-UHFFFAOYSA-N
XLogP5.10
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 21081760) is 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DIDIVIXODOFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O3/c27-17-5-3-16(4-6-17)15-32-13-1-2-20(26(32)34)25(33)31-18-7-8-23(21(28)14-18)35-22-10-12-30-24-19(22)9-11-29-24/h1-14H,15H2,(H,29,30)(H,31,33).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 21081760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).