1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen

C76H85FN18O7 — CID 158123809

IUPAC1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen
SMILESCC#CC(C)n1cc(-c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4C)o3)n2)ccc1=O.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CF)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O3.C26H26N6O2.C24H25FN6O2.3H2/c1-16-24(26-31-30-25(35-26)20-10-8-17(13-27-2)12-22(20)34-3)29-21(14-28-16)18-9-11-23(33)32(15-18)19-6-4-5-7-19;1-6-7-17(3)32-15-20(9-11-23(32)33)22-14-28-18(4)24(29-22)26-31-30-25(34-26)21-10-8-19(13-27-5)12-16(21)2;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h8-12,14-15,19,27H,4-7,13H2,1-3H3;8-12,14-15,17,27H,13H2,1-5H3;5-9,12-13,15,26H,10-11H2,1-4H3;3*1H
InChIKeyFRXMFEQFIKWJTM-UHFFFAOYSA-N
MW1381.63 g/mol
LogP12.74
Rot. Bonds20

About 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen

1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen (PubChem CID 158123809) has the molecular formula C76H85FN18O7 and a molecular weight of 1381.63 g/mol. Its IUPAC name is 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen
PubChem CID158123809
Molecular FormulaC76H85FN18O7
Molecular Weight1381.63 g/mol
Exact Mass1380.68
IUPAC Name1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen
SMILESCC#CC(C)n1cc(-c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4C)o3)n2)ccc1=O.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CF)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O3.C26H26N6O2.C24H25FN6O2.3H2/c1-16-24(26-31-30-25(35-26)20-10-8-17(13-27-2)12-22(20)34-3)29-21(14-28-16)18-9-11-23(33)32(15-18)19-6-4-5-7-19;1-6-7-17(3)32-15-20(9-11-23(32)33)22-14-28-18(4)24(29-22)26-31-30-25(34-26)21-10-8-19(13-27-5)12-16(21)2;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h8-12,14-15,19,27H,4-7,13H2,1-3H3;8-12,14-15,17,27H,13H2,1-5H3;5-9,12-13,15,26H,10-11H2,1-4H3;3*1H
InChIKeyFRXMFEQFIKWJTM-UHFFFAOYSA-N
XLogP12.74
TPSA305.42 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.63
LogP ≤ 512.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen?
The IUPAC name of 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen (CID 158123809) is 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen.
What is the SMILES notation for 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen?
The canonical SMILES for 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen is CC#CC(C)n1cc(-c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4C)o3)n2)ccc1=O.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CF)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen?
The InChIKey is FRXMFEQFIKWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C26H26N6O2.C24H25FN6O2.3H2/c1-16-24(26-31-30-25(35-26)20-10-8-17(13-27-2)12-22(20)34-3)29-21(14-28-16)18-9-11-23(33)32(15-18)19-6-4-5-7-19;1-6-7-17(3)32-15-20(9-11-23(32)33)22-14-28-18(4)24(29-22)26-31-30-25(34-26)21-10-8-19(13-27-5)12-16(21)2;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h8-12,14-15,19,27H,4-7,13H2,1-3H3;8-12,14-15,17,27H,13H2,1-5H3;5-9,12-13,15,26H,10-11H2,1-4H3;3*1H.
What are the key properties of 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen?
1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen has a molecular weight of 1381.63 g/mol, XLogP of 12.74, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]pyridin-2-one;1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-pent-3-yn-2-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158123809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).