1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

C69H83N19O8 — CID 157355761

IUPAC1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCO)c4)cnc3C)o2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H26N6O3.C23H25N7O2.C22H22N6O3.5H2/c1-14(2)30-13-17(7-9-21(30)31)19-12-26-15(3)22(27-19)24-29-28-23(33-24)18-8-6-16(11-25-4)10-20(18)32-5;1-15-21(23-29-28-22(32-23)17-6-4-16(5-7-17)12-25-2)27-19(13-26-15)18-8-9-20(31)30(14-18)11-3-10-24;1-14-20(22-27-26-21(31-22)16-5-3-15(4-6-16)11-23-2)25-18(12-24-14)17-7-8-19(30)28(13-17)9-10-29;;;;;/h6-10,12-14,25H,11H2,1-5H3;4-9,13-14,25H,3,10-12,24H2,1-2H3;3-8,12-13,23,29H,9-11H2,1-2H3;5*1H
InChIKeyBIBHOAPIEYWASI-UHFFFAOYSA-N
MW1306.55 g/mol
LogP9.31
Rot. Bonds22

About 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (PubChem CID 157355761) has the molecular formula C69H83N19O8 and a molecular weight of 1306.55 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
PubChem CID157355761
Molecular FormulaC69H83N19O8
Molecular Weight1306.55 g/mol
Exact Mass1305.67
IUPAC Name1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCO)c4)cnc3C)o2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H26N6O3.C23H25N7O2.C22H22N6O3.5H2/c1-14(2)30-13-17(7-9-21(30)31)19-12-26-15(3)22(27-19)24-29-28-23(33-24)18-8-6-16(11-25-4)10-20(18)32-5;1-15-21(23-29-28-22(32-23)17-6-4-16(5-7-17)12-25-2)27-19(13-26-15)18-8-9-20(31)30(14-18)11-3-10-24;1-14-20(22-27-26-21(31-22)16-5-3-15(4-6-16)11-23-2)25-18(12-24-14)17-7-8-19(30)28(13-17)9-10-29;;;;;/h6-10,12-14,25H,11H2,1-5H3;4-9,13-14,25H,3,10-12,24H2,1-2H3;3-8,12-13,23,29H,9-11H2,1-2H3;5*1H
InChIKeyBIBHOAPIEYWASI-UHFFFAOYSA-N
XLogP9.31
TPSA351.67 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.55
LogP ≤ 59.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The IUPAC name of 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (CID 157355761) is 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.
What is the SMILES notation for 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The canonical SMILES for 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCO)c4)cnc3C)o2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The InChIKey is BIBHOAPIEYWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3.C23H25N7O2.C22H22N6O3.5H2/c1-14(2)30-13-17(7-9-21(30)31)19-12-26-15(3)22(27-19)24-29-28-23(33-24)18-8-6-16(11-25-4)10-20(18)32-5;1-15-21(23-29-28-22(32-23)17-6-4-16(5-7-17)12-25-2)27-19(13-26-15)18-8-9-20(31)30(14-18)11-3-10-24;1-14-20(22-27-26-21(31-22)16-5-3-15(4-6-16)11-23-2)25-18(12-24-14)17-7-8-19(30)28(13-17)9-10-29;;;;;/h6-10,12-14,25H,11H2,1-5H3;4-9,13-14,25H,3,10-12,24H2,1-2H3;3-8,12-13,23,29H,9-11H2,1-2H3;5*1H.
What are the key properties of 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen has a molecular weight of 1306.55 g/mol, XLogP of 9.31, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(2-hydroxyethyl)-5-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 157355761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).