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

C23H26N6OS — CID 5329471

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
SMILESCN1CCN(CCCn2ccc(-c3cnc4c(-c5ccsc5)cnn4c3)cc2=O)CC1
InChIInChI=1S/C23H26N6OS/c1-26-8-10-27(11-9-26)5-2-6-28-7-3-18(13-22(28)30)20-14-24-23-21(15-25-29(23)16-20)19-4-12-31-17-19/h3-4,7,12-17H,2,5-6,8-11H2,1H3
InChIKeyQZNBJKPMALDRGE-UHFFFAOYSA-N
MW434.57 g/mol
LogP2.92
Rot. Bonds6

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

1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one (PubChem CID 5329471) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
PubChem CID5329471
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one
SMILESCN1CCN(CCCn2ccc(-c3cnc4c(-c5ccsc5)cnn4c3)cc2=O)CC1
InChIInChI=1S/C23H26N6OS/c1-26-8-10-27(11-9-26)5-2-6-28-7-3-18(13-22(28)30)20-14-24-23-21(15-25-29(23)16-20)19-4-12-31-17-19/h3-4,7,12-17H,2,5-6,8-11H2,1H3
InChIKeyQZNBJKPMALDRGE-UHFFFAOYSA-N
XLogP2.92
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one (CID 5329471) is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one is CN1CCN(CCCn2ccc(-c3cnc4c(-c5ccsc5)cnn4c3)cc2=O)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
The InChIKey is QZNBJKPMALDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-26-8-10-27(11-9-26)5-2-6-28-7-3-18(13-22(28)30)20-14-24-23-21(15-25-29(23)16-20)19-4-12-31-17-19/h3-4,7,12-17H,2,5-6,8-11H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one?
1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one has a molecular weight of 434.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one is sourced from PubChem (CID 5329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).