5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

C22H22FN7O — CID 68592607

IUPAC5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(N2CCNCC2)cc1Nc1ncc(F)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C22H22FN7O/c1-31-20-6-5-15(29-10-7-24-8-11-29)12-18(20)27-22-25-14-17(23)21(28-22)16-13-26-30-9-3-2-4-19(16)30/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,25,27,28)
InChIKeyZLPHWBOJUOQTMC-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.09
Rot. Bonds5

About 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 68592607) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID68592607
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(N2CCNCC2)cc1Nc1ncc(F)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C22H22FN7O/c1-31-20-6-5-15(29-10-7-24-8-11-29)12-18(20)27-22-25-14-17(23)21(28-22)16-13-26-30-9-3-2-4-19(16)30/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,25,27,28)
InChIKeyZLPHWBOJUOQTMC-UHFFFAOYSA-N
XLogP3.09
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (CID 68592607) is 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is COc1ccc(N2CCNCC2)cc1Nc1ncc(F)c(-c2cnn3ccccc23)n1.
What is the InChIKey of 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is ZLPHWBOJUOQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-31-20-6-5-15(29-10-7-24-8-11-29)12-18(20)27-22-25-14-17(23)21(28-22)16-13-26-30-9-3-2-4-19(16)30/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,25,27,28).
What are the key properties of 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 419.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxy-5-piperazin-1-ylphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 68592607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).