1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

C27H32N6O4 — CID 72549726

IUPAC1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(N5CCC(O)C5=O)c(C)n4)c(=O)c3)CC2)nc1
InChIInChI=1S/C27H32N6O4/c1-3-4-19-16-28-27(29-17-19)31-11-7-20(8-12-31)37-21-9-13-33(25(35)15-21)24-6-5-22(18(2)30-24)32-14-10-23(34)26(32)36/h5-6,9,13,15-17,20,23,34H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyCCGRGUIFTWCBIZ-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.43
Rot. Bonds7

About 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 72549726) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
PubChem CID72549726
Molecular FormulaC27H32N6O4
Molecular Weight504.59 g/mol
Exact Mass504.25
IUPAC Name1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(N5CCC(O)C5=O)c(C)n4)c(=O)c3)CC2)nc1
InChIInChI=1S/C27H32N6O4/c1-3-4-19-16-28-27(29-17-19)31-11-7-20(8-12-31)37-21-9-13-33(25(35)15-21)24-6-5-22(18(2)30-24)32-14-10-23(34)26(32)36/h5-6,9,13,15-17,20,23,34H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyCCGRGUIFTWCBIZ-UHFFFAOYSA-N
XLogP2.43
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (CID 72549726) is 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(N5CCC(O)C5=O)c(C)n4)c(=O)c3)CC2)nc1.
What is the InChIKey of 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is CCGRGUIFTWCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-3-4-19-16-28-27(29-17-19)31-11-7-20(8-12-31)37-21-9-13-33(25(35)15-21)24-6-5-22(18(2)30-24)32-14-10-23(34)26(32)36/h5-6,9,13,15-17,20,23,34H,3-4,7-8,10-12,14H2,1-2H3.
What are the key properties of 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 504.59 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 72549726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).