4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile

C19H19Cl2FN4O3 — CID 71580216

IUPAC4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile
SMILESCOc1cc(Cl)c(Nc2nc(C#N)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2FN4O3/c1-28-13-6-14(20)17(15(21)7-13)25-18-19(27)26(9-12(8-23)24-18)16(11-2-3-11)10-29-5-4-22/h6-7,9,11,16H,2-5,10H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyQCWHIGGQCRDNIC-INIZCTEOSA-N
MW441.29 g/mol
LogP4.11
Rot. Bonds9

About 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile

4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile (PubChem CID 71580216) has the molecular formula C19H19Cl2FN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile
PubChem CID71580216
Molecular FormulaC19H19Cl2FN4O3
Molecular Weight441.29 g/mol
Exact Mass440.08
IUPAC Name4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile
SMILESCOc1cc(Cl)c(Nc2nc(C#N)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2FN4O3/c1-28-13-6-14(20)17(15(21)7-13)25-18-19(27)26(9-12(8-23)24-18)16(11-2-3-11)10-29-5-4-22/h6-7,9,11,16H,2-5,10H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyQCWHIGGQCRDNIC-INIZCTEOSA-N
XLogP4.11
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile 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

5-bromo-1-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-(2,6-dichloro-4-methoxyanilino)pyrazin-2-one
CID 71580215
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-5-(2,6-dichloro-4-methoxyanilino)-3-methyl-1,2,4-triazin-6-one
CID 46891389
4-[(1R)-1-cyclopropylpropyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
CID 44596701
5-bromo-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one;4-[(1R)-1-cyclopropylpropyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-5-oxopyrazine-2-carbonitrile;3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one;6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine;oxolane
CID 159453881
1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
CID 91163543
5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
CID 18452783
[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
CID 45483573
2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine
CID 112512679
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
CID 10274881
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67076089

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile?
The IUPAC name of 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile (CID 71580216) is 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile?
The canonical SMILES for 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile is COc1cc(Cl)c(Nc2nc(C#N)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile?
The InChIKey is QCWHIGGQCRDNIC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O3/c1-28-13-6-14(20)17(15(21)7-13)25-18-19(27)26(9-12(8-23)24-18)16(11-2-3-11)10-29-5-4-22/h6-7,9,11,16H,2-5,10H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile?
4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile has a molecular weight of 441.29 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile is sourced from PubChem (CID 71580216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).