3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

C24H28N6O3 — CID 134248897

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C3CCN(c4ccc(-c5cn[nH]c5)c(OC)n4)C3=O)CC2)cc1
InChIInChI=1S/C24H28N6O3/c1-32-19-5-3-18(4-6-19)28-11-13-29(14-12-28)21-9-10-30(24(21)31)22-8-7-20(23(27-22)33-2)17-15-25-26-16-17/h3-8,15-16,21H,9-14H2,1-2H3,(H,25,26)
InChIKeyNDMOJAGIULBVAJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.42
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 134248897) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID134248897
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C3CCN(c4ccc(-c5cn[nH]c5)c(OC)n4)C3=O)CC2)cc1
InChIInChI=1S/C24H28N6O3/c1-32-19-5-3-18(4-6-19)28-11-13-29(14-12-28)21-9-10-30(24(21)31)22-8-7-20(23(27-22)33-2)17-15-25-26-16-17/h3-8,15-16,21H,9-14H2,1-2H3,(H,25,26)
InChIKeyNDMOJAGIULBVAJ-UHFFFAOYSA-N
XLogP2.42
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (CID 134248897) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is COc1ccc(N2CCN(C3CCN(c4ccc(-c5cn[nH]c5)c(OC)n4)C3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is NDMOJAGIULBVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-19-5-3-18(4-6-19)28-11-13-29(14-12-28)21-9-10-30(24(21)31)22-8-7-20(23(27-22)33-2)17-15-25-26-16-17/h3-8,15-16,21H,9-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 448.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 134248897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).