3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide

C21H22F2N4O3 — CID 67374807

IUPAC3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
SMILESCCN(CC)CCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C21H22F2N4O3/c1-3-27(4-2)7-8-30-12-9-14-15(11-26-21(14)25-10-12)19(28)17-16(22)6-5-13(18(17)23)20(24)29/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyYRFPGLQQSYDPKI-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.89
Rot. Bonds9

About 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide

3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide (PubChem CID 67374807) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide.

Molecular Properties

Compound Name3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
PubChem CID67374807
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
SMILESCCN(CC)CCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C21H22F2N4O3/c1-3-27(4-2)7-8-30-12-9-14-15(11-26-21(14)25-10-12)19(28)17-16(22)6-5-13(18(17)23)20(24)29/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyYRFPGLQQSYDPKI-UHFFFAOYSA-N
XLogP2.89
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide 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

3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
CID 68669544
(2,6-difluoro-3-methylphenyl)-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384890
(3-amino-2,6-difluorophenyl)-[5-[6-[3-(diethylamino)propoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68755325
2,4-difluoro-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67375509
(3-amino-2,6-difluorophenyl)-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68755089
[2,6-difluoro-3-[[(4-fluorocyclohexa-1,3-dien-1-yl)-hydroxy-methyl-λ4-sulfanyl]amino]phenyl]-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143712146
(2,6-difluoro-3-methylphenyl)-(5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 91297376
(3-amino-2,6-difluorophenyl)-(5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59569607
4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226
N-[3-[5-[6-(diethylaminomethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 67961675
N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086479
2,4-difluoro-3-[5-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67374830

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide?
The IUPAC name of 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide (CID 67374807) is 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide.
What is the SMILES notation for 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide?
The canonical SMILES for 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide is CCN(CC)CCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1.
What is the InChIKey of 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide?
The InChIKey is YRFPGLQQSYDPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-3-27(4-2)7-8-30-12-9-14-15(11-26-21(14)25-10-12)19(28)17-16(22)6-5-13(18(17)23)20(24)29/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,24,29)(H,25,26).
What are the key properties of 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide?
3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide has a molecular weight of 416.43 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide is sourced from PubChem (CID 67374807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).