1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one

C24H26ClN5O2 — CID 158520826

IUPAC1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one
SMILESCc1nc(N)ccc1CCC(=O)Cn1c(-c2ccccc2)c(Cl)nc(N2CCCC2)c1=O
InChIInChI=1S/C24H26ClN5O2/c1-16-17(10-12-20(26)27-16)9-11-19(31)15-30-21(18-7-3-2-4-8-18)22(25)28-23(24(30)32)29-13-5-6-14-29/h2-4,7-8,10,12H,5-6,9,11,13-15H2,1H3,(H2,26,27)
InChIKeyHMEMYVZOLKZSDH-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one

1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one (PubChem CID 158520826) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one.

Molecular Properties

Compound Name1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one
PubChem CID158520826
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one
SMILESCc1nc(N)ccc1CCC(=O)Cn1c(-c2ccccc2)c(Cl)nc(N2CCCC2)c1=O
InChIInChI=1S/C24H26ClN5O2/c1-16-17(10-12-20(26)27-16)9-11-19(31)15-30-21(18-7-3-2-4-8-18)22(25)28-23(24(30)32)29-13-5-6-14-29/h2-4,7-8,10,12H,5-6,9,11,13-15H2,1H3,(H2,26,27)
InChIKeyHMEMYVZOLKZSDH-UHFFFAOYSA-N
XLogP3.65
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one?
The IUPAC name of 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one (CID 158520826) is 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one.
What is the SMILES notation for 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one?
The canonical SMILES for 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one is Cc1nc(N)ccc1CCC(=O)Cn1c(-c2ccccc2)c(Cl)nc(N2CCCC2)c1=O.
What is the InChIKey of 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one?
The InChIKey is HMEMYVZOLKZSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-16-17(10-12-20(26)27-16)9-11-19(31)15-30-21(18-7-3-2-4-8-18)22(25)28-23(24(30)32)29-13-5-6-14-29/h2-4,7-8,10,12H,5-6,9,11,13-15H2,1H3,(H2,26,27).
What are the key properties of 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one?
1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one has a molecular weight of 451.96 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one is sourced from PubChem (CID 158520826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).