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

C20H24Cl2FN7O — CID 123700252

IUPAC4-[(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
SMILES[H]/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C2CCNCC2)no1
InChIInChI=1S/C20H24Cl2FN7O/c21-13-1-2-14(23)17(22)12(13)10-30-8-7-27-18(25)16(30)9-15(24)20-28-19(29-31-20)11-3-5-26-6-4-11/h1-2,11,16,24,26H,3-10H2,(H2,25,27)/b24-15-
InChIKeyQAKRWOVKZUCJMC-IWIPYMOSSA-N
MW468.36 g/mol
LogP2.98
Rot. Bonds6

About 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

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 (PubChem CID 123700252) has the molecular formula C20H24Cl2FN7O and a molecular weight of 468.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID123700252
Molecular FormulaC20H24Cl2FN7O
Molecular Weight468.36 g/mol
Exact Mass467.14
IUPAC Name4-[(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
SMILES[H]/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C2CCNCC2)no1
InChIInChI=1S/C20H24Cl2FN7O/c21-13-1-2-14(23)17(22)12(13)10-30-8-7-27-18(25)16(30)9-15(24)20-28-19(29-31-20)11-3-5-26-6-4-11/h1-2,11,16,24,26H,3-10H2,(H2,25,27)/b24-15-
InChIKeyQAKRWOVKZUCJMC-IWIPYMOSSA-N
XLogP2.98
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
CID 123775802
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
2-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 158077046
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 158758569
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
5-[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;oxalic acid
CID 71783612
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
3-[(2,6-dichlorophenyl)methyl]-8-piperidin-4-yl-7H-purin-6-imine
CID 138740694
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
(6E)-1-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-[2-imino-2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethylidene]-2,3-dihydropyrazin-5-amine
CID 147590326
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C(/CC1C(N)=NCCN1Cc1c(Cl)ccc(F)c1Cl)c1nc(C2CCNCC2)no1.
What is the InChIKey of 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?
The InChIKey is QAKRWOVKZUCJMC-IWIPYMOSSA-N. The full InChI is InChI=1S/C20H24Cl2FN7O/c21-13-1-2-14(23)17(22)12(13)10-30-8-7-27-18(25)16(30)9-15(24)20-28-19(29-31-20)11-3-5-26-6-4-11/h1-2,11,16,24,26H,3-10H2,(H2,25,27)/b24-15-.
What are the key properties of 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?
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 has a molecular weight of 468.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123700252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).