4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide

C26H23N7O — CID 86275489

IUPAC4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
InChIKeyQYTUSJSFZCPMSV-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.12
Rot. Bonds4

About 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide (PubChem CID 86275489) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide
PubChem CID86275489
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
InChIKeyQYTUSJSFZCPMSV-UHFFFAOYSA-N
XLogP3.12
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide?
The IUPAC name of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide (CID 86275489) is 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide.
What is the SMILES notation for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide?
The canonical SMILES for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide is NC(=O)c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide?
The InChIKey is QYTUSJSFZCPMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34).
What are the key properties of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide?
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxamide is sourced from PubChem (CID 86275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).