5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine

C26H26N8O — CID 123462849

IUPAC5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
SMILESNc1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCNCC6)cn5)cnc34)cccc2n1
InChIInChI=1S/C26H26N8O/c27-25-7-5-21-20(2-1-3-24(21)32-25)22-16-31-34-17-18(14-30-26(22)34)23-6-4-19(15-29-23)35-13-12-33-10-8-28-9-11-33/h1-7,14-17,28H,8-13H2,(H2,27,32)
InChIKeyGSZGVXNCVDKMHS-UHFFFAOYSA-N
MW466.55 g/mol
LogP2.87
Rot. Bonds6

About 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine

5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine (PubChem CID 123462849) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
PubChem CID123462849
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
SMILESNc1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCNCC6)cn5)cnc34)cccc2n1
InChIInChI=1S/C26H26N8O/c27-25-7-5-21-20(2-1-3-24(21)32-25)22-16-31-34-17-18(14-30-26(22)34)23-6-4-19(15-29-23)35-13-12-33-10-8-28-9-11-33/h1-7,14-17,28H,8-13H2,(H2,27,32)
InChIKeyGSZGVXNCVDKMHS-UHFFFAOYSA-N
XLogP2.87
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?
The IUPAC name of 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine (CID 123462849) is 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine.
What is the SMILES notation for 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?
The canonical SMILES for 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine is Nc1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCNCC6)cn5)cnc34)cccc2n1.
What is the InChIKey of 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?
The InChIKey is GSZGVXNCVDKMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-25-7-5-21-20(2-1-3-24(21)32-25)22-16-31-34-17-18(14-30-26(22)34)23-6-4-19(15-29-23)35-13-12-33-10-8-28-9-11-33/h1-7,14-17,28H,8-13H2,(H2,27,32).
What are the key properties of 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?
5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine has a molecular weight of 466.55 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine is sourced from PubChem (CID 123462849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).