2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride

C23H25Cl2FN4O3 — CID 67503774

IUPAC2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride
SMILESCl.O=C(Nc1cnccn1)C(CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O
InChIInChI=1S/C23H24ClFN4O3.ClH/c24-17-7-4-8-18(25)22(17)32-16-12-21(30)29(14-16)19(11-15-5-2-1-3-6-15)23(31)28-20-13-26-9-10-27-20;/h4,7-10,12-13,15,19H,1-3,5-6,11,14H2,(H,27,28,31);1H
InChIKeyOAZUGPCMEVHNEI-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.77
Rot. Bonds7

About 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride

2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride (PubChem CID 67503774) has the molecular formula C23H25Cl2FN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride
PubChem CID67503774
Molecular FormulaC23H25Cl2FN4O3
Molecular Weight495.38 g/mol
Exact Mass494.13
IUPAC Name2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride
SMILESCl.O=C(Nc1cnccn1)C(CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O
InChIInChI=1S/C23H24ClFN4O3.ClH/c24-17-7-4-8-18(25)22(17)32-16-12-21(30)29(14-16)19(11-15-5-2-1-3-6-15)23(31)28-20-13-26-9-10-27-20;/h4,7-10,12-13,15,19H,1-3,5-6,11,14H2,(H,27,28,31);1H
InChIKeyOAZUGPCMEVHNEI-UHFFFAOYSA-N
XLogP4.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride (CID 67503774) is 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride is Cl.O=C(Nc1cnccn1)C(CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride?
The InChIKey is OAZUGPCMEVHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3.ClH/c24-17-7-4-8-18(25)22(17)32-16-12-21(30)29(14-16)19(11-15-5-2-1-3-6-15)23(31)28-20-13-26-9-10-27-20;/h4,7-10,12-13,15,19H,1-3,5-6,11,14H2,(H,27,28,31);1H.
What are the key properties of 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride?
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride has a molecular weight of 495.38 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 67503774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).