2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one

C22H25FN2O3 — CID 160953287

IUPAC2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(c(OCCF)c(CC)n2C)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-4-16-13-18-20(21(28-12-11-23)17(5-2)24(18)3)22(27)25(16)14-19(26)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3
InChIKeySWAWYASUVJTHJH-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.70
Rot. Bonds8

About 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one

2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 160953287) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one
PubChem CID160953287
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(c(OCCF)c(CC)n2C)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-4-16-13-18-20(21(28-12-11-23)17(5-2)24(18)3)22(27)25(16)14-19(26)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3
InChIKeySWAWYASUVJTHJH-UHFFFAOYSA-N
XLogP3.70
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one (CID 160953287) is 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one is CCc1cc2c(c(OCCF)c(CC)n2C)c(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SWAWYASUVJTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-4-16-13-18-20(21(28-12-11-23)17(5-2)24(18)3)22(27)25(16)14-19(26)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3.
What are the key properties of 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one?
2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 384.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3-(2-fluoroethoxy)-1-methyl-5-phenacylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 160953287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).