1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one

C25H28N6O — CID 5329470

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
SMILESCN1CCN(CCCn2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2=O)CC1
InChIInChI=1S/C25H28N6O/c1-28-12-14-29(15-13-28)9-5-10-30-11-8-21(16-24(30)32)22-17-26-25-23(18-27-31(25)19-22)20-6-3-2-4-7-20/h2-4,6-8,11,16-19H,5,9-10,12-15H2,1H3
InChIKeyRBXCUPOYMILATN-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.86
Rot. Bonds6

About 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one

1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one (PubChem CID 5329470) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
PubChem CID5329470
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
SMILESCN1CCN(CCCn2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2=O)CC1
InChIInChI=1S/C25H28N6O/c1-28-12-14-29(15-13-28)9-5-10-30-11-8-21(16-24(30)32)22-17-26-25-23(18-27-31(25)19-22)20-6-3-2-4-7-20/h2-4,6-8,11,16-19H,5,9-10,12-15H2,1H3
InChIKeyRBXCUPOYMILATN-UHFFFAOYSA-N
XLogP2.86
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one (CID 5329470) is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one is CN1CCN(CCCn2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2=O)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The InChIKey is RBXCUPOYMILATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-28-12-14-29(15-13-28)9-5-10-30-11-8-21(16-24(30)32)22-17-26-25-23(18-27-31(25)19-22)20-6-3-2-4-7-20/h2-4,6-8,11,16-19H,5,9-10,12-15H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one has a molecular weight of 428.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one is sourced from PubChem (CID 5329470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).