4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide

C102H101Br2ClF8N16O9 — CID 159100762

IUPAC4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide
SMILESNc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.Nc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1
InChIInChI=1S/C28H30BrF3N4O2.C27H28BrF3N4O2.C24H22ClFN4O3.C23H21FN4O2/c29-19-11-18(12-20(31)14-19)24(3-1-2-10-30)36-28(38)22-9-6-17(13-23(22)32)26-27(33)34-15-25(35-26)16-4-7-21(37)8-5-16;28-19-11-18(12-20(30)14-19)23(3-1-2-8-29)35-27(36)21-5-4-17(13-22(21)31)25-26(32)33-15-24(34-25)16-6-9-37-10-7-16;25-17-3-1-2-15(10-17)21(13-31)30-24(32)18-5-4-16(11-19(18)26)22-23(27)28-12-20(29-22)14-6-8-33-9-7-14;24-19-12-17(6-7-18(19)23(29)27-13-15-4-2-1-3-5-15)21-22(25)26-14-20(28-21)16-8-10-30-11-9-16/h6,9,11-16,21,24,37H,1-5,7-8,10H2,(H2,33,34)(H,36,38);4-5,11-16,23H,1-3,6-10H2,(H2,32,33)(H,35,36);1-6,10-12,21,31H,7-9,13H2,(H2,27,28)(H,30,32);1-8,12,14H,9-11,13H2,(H2,25,26)(H,27,29)/t16?,21?,24-;23-;21-;/m111./s1
InChIKeyKDGATMBWFOMXRM-WHAGNHBYSA-N
MW2042.28 g/mol
LogP20.05
Rot. Bonds29

About 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide

4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide (PubChem CID 159100762) has the molecular formula C102H101Br2ClF8N16O9 and a molecular weight of 2042.28 g/mol. Its IUPAC name is 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide
PubChem CID159100762
Molecular FormulaC102H101Br2ClF8N16O9
Molecular Weight2042.28 g/mol
Exact Mass2038.59
IUPAC Name4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide
SMILESNc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.Nc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1
InChIInChI=1S/C28H30BrF3N4O2.C27H28BrF3N4O2.C24H22ClFN4O3.C23H21FN4O2/c29-19-11-18(12-20(31)14-19)24(3-1-2-10-30)36-28(38)22-9-6-17(13-23(22)32)26-27(33)34-15-25(35-26)16-4-7-21(37)8-5-16;28-19-11-18(12-20(30)14-19)23(3-1-2-8-29)35-27(36)21-5-4-17(13-22(21)31)25-26(32)33-15-24(34-25)16-6-9-37-10-7-16;25-17-3-1-2-15(10-17)21(13-31)30-24(32)18-5-4-16(11-19(18)26)22-23(27)28-12-20(29-22)14-6-8-33-9-7-14;24-19-12-17(6-7-18(19)23(29)27-13-15-4-2-1-3-5-15)21-22(25)26-14-20(28-21)16-8-10-30-11-9-16/h6,9,11-16,21,24,37H,1-5,7-8,10H2,(H2,33,34)(H,36,38);4-5,11-16,23H,1-3,6-10H2,(H2,32,33)(H,35,36);1-6,10-12,21,31H,7-9,13H2,(H2,27,28)(H,30,32);1-8,12,14H,9-11,13H2,(H2,25,26)(H,27,29)/t16?,21?,24-;23-;21-;/m111./s1
InChIKeyKDGATMBWFOMXRM-WHAGNHBYSA-N
XLogP20.05
TPSA391.75 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.28
LogP ≤ 520.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide (CID 159100762) is 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide is Nc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.Nc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CCCCF)c2cc(F)cc(Br)c2)c(F)c1.
What is the InChIKey of 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide?
The InChIKey is KDGATMBWFOMXRM-WHAGNHBYSA-N. The full InChI is InChI=1S/C28H30BrF3N4O2.C27H28BrF3N4O2.C24H22ClFN4O3.C23H21FN4O2/c29-19-11-18(12-20(31)14-19)24(3-1-2-10-30)36-28(38)22-9-6-17(13-23(22)32)26-27(33)34-15-25(35-26)16-4-7-21(37)8-5-16;28-19-11-18(12-20(30)14-19)23(3-1-2-8-29)35-27(36)21-5-4-17(13-22(21)31)25-26(32)33-15-24(34-25)16-6-9-37-10-7-16;25-17-3-1-2-15(10-17)21(13-31)30-24(32)18-5-4-16(11-19(18)26)22-23(27)28-12-20(29-22)14-6-8-33-9-7-14;24-19-12-17(6-7-18(19)23(29)27-13-15-4-2-1-3-5-15)21-22(25)26-14-20(28-21)16-8-10-30-11-9-16/h6,9,11-16,21,24,37H,1-5,7-8,10H2,(H2,33,34)(H,36,38);4-5,11-16,23H,1-3,6-10H2,(H2,32,33)(H,35,36);1-6,10-12,21,31H,7-9,13H2,(H2,27,28)(H,30,32);1-8,12,14H,9-11,13H2,(H2,25,26)(H,27,29)/t16?,21?,24-;23-;21-;/m111./s1.
What are the key properties of 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide?
4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide has a molecular weight of 2042.28 g/mol, XLogP of 20.05, 29 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)-5-fluoropentyl]-2-fluorobenzamide is sourced from PubChem (CID 159100762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).