4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine

C19H23Cl2FN6O — CID 123583893

IUPAC4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
SMILESC/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C(C)C)no1
InChIInChI=1S/C19H23Cl2FN6O/c1-10(2)18-26-19(29-27-18)14(24-3)8-15-17(23)25-6-7-28(15)9-11-12(20)4-5-13(22)16(11)21/h4-5,10,15H,6-9H2,1-3H3,(H2,23,25)/b24-14-
InChIKeyTWJLBCPZZLDHTB-OYKKKHCWSA-N
MW441.34 g/mol
LogP3.69
Rot. Bonds6

About 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine

4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine (PubChem CID 123583893) has the molecular formula C19H23Cl2FN6O and a molecular weight of 441.34 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
PubChem CID123583893
Molecular FormulaC19H23Cl2FN6O
Molecular Weight441.34 g/mol
Exact Mass440.13
IUPAC Name4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
SMILESC/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C(C)C)no1
InChIInChI=1S/C19H23Cl2FN6O/c1-10(2)18-26-19(29-27-18)14(24-3)8-15-17(23)25-6-7-28(15)9-11-12(20)4-5-13(22)16(11)21/h4-5,10,15H,6-9H2,1-3H3,(H2,23,25)/b24-14-
InChIKeyTWJLBCPZZLDHTB-OYKKKHCWSA-N
XLogP3.69
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-imino-2-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 123700252
2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
CID 123775802
4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 123425654
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56902461
4-fluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 60836239
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46528740
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
CID 95725923
1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86903538
5-[1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134707810
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?
The IUPAC name of 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine (CID 123583893) is 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine.
What is the SMILES notation for 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?
The canonical SMILES for 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine is C/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C(C)C)no1.
What is the InChIKey of 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?
The InChIKey is TWJLBCPZZLDHTB-OYKKKHCWSA-N. The full InChI is InChI=1S/C19H23Cl2FN6O/c1-10(2)18-26-19(29-27-18)14(24-3)8-15-17(23)25-6-7-28(15)9-11-12(20)4-5-13(22)16(11)21/h4-5,10,15H,6-9H2,1-3H3,(H2,23,25)/b24-14-.
What are the key properties of 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?
4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine has a molecular weight of 441.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-methylimino-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine is sourced from PubChem (CID 123583893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).