2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide

C21H20F2N4O4 — CID 68755087

IUPAC2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
SMILESNC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)c1F
InChIInChI=1S/C21H20F2N4O4/c22-16-2-1-13(20(24)29)18(23)17(16)19(28)15-11-26-21-14(15)9-12(10-25-21)31-8-5-27-3-6-30-7-4-27/h1-2,9-11H,3-8H2,(H2,24,29)(H,25,26)
InChIKeyOWUGGRCZDINAHN-UHFFFAOYSA-N
MW430.41 g/mol
LogP1.88
Rot. Bonds7

About 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide

2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide (PubChem CID 68755087) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
PubChem CID68755087
Molecular FormulaC21H20F2N4O4
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC Name2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
SMILESNC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)c1F
InChIInChI=1S/C21H20F2N4O4/c22-16-2-1-13(20(24)29)18(23)17(16)19(28)15-11-26-21-14(15)9-12(10-25-21)31-8-5-27-3-6-30-7-4-27/h1-2,9-11H,3-8H2,(H2,24,29)(H,25,26)
InChIKeyOWUGGRCZDINAHN-UHFFFAOYSA-N
XLogP1.88
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide?
The IUPAC name of 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide (CID 68755087) is 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide.
What is the SMILES notation for 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide?
The canonical SMILES for 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide is NC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)c1F.
What is the InChIKey of 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide?
The InChIKey is OWUGGRCZDINAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c22-16-2-1-13(20(24)29)18(23)17(16)19(28)15-11-26-21-14(15)9-12(10-25-21)31-8-5-27-3-6-30-7-4-27/h1-2,9-11H,3-8H2,(H2,24,29)(H,25,26).
What are the key properties of 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide?
2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide has a molecular weight of 430.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide is sourced from PubChem (CID 68755087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).