6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine

C21H16ClFN6 — CID 58515957

IUPAC6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine
SMILESCC(Cc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnn2c1-c1cccc(F)c1
InChIInChI=1S/C21H16ClFN6/c1-12(7-17-19-21(26-10-24-17)27-11-25-19)15-9-16(22)18-5-6-28-29(18)20(15)13-3-2-4-14(23)8-13/h2-6,8-12H,7H2,1H3,(H,24,25,26,27)
InChIKeyQWOYKTSAMPNKSO-UHFFFAOYSA-N
MW406.85 g/mol
LogP4.81
Rot. Bonds4

About 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine

6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine (PubChem CID 58515957) has the molecular formula C21H16ClFN6 and a molecular weight of 406.85 g/mol. Its IUPAC name is 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine.

Molecular Properties

Compound Name6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine
PubChem CID58515957
Molecular FormulaC21H16ClFN6
Molecular Weight406.85 g/mol
Exact Mass406.11
IUPAC Name6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine
SMILESCC(Cc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnn2c1-c1cccc(F)c1
InChIInChI=1S/C21H16ClFN6/c1-12(7-17-19-21(26-10-24-17)27-11-25-19)15-9-16(22)18-5-6-28-29(18)20(15)13-3-2-4-14(23)8-13/h2-6,8-12H,7H2,1H3,(H,24,25,26,27)
InChIKeyQWOYKTSAMPNKSO-UHFFFAOYSA-N
XLogP4.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine?
The IUPAC name of 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine (CID 58515957) is 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine.
What is the SMILES notation for 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine?
The canonical SMILES for 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine is CC(Cc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnn2c1-c1cccc(F)c1.
What is the InChIKey of 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine?
The InChIKey is QWOYKTSAMPNKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6/c1-12(7-17-19-21(26-10-24-17)27-11-25-19)15-9-16(22)18-5-6-28-29(18)20(15)13-3-2-4-14(23)8-13/h2-6,8-12H,7H2,1H3,(H,24,25,26,27).
What are the key properties of 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine?
6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine has a molecular weight of 406.85 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-chloro-7-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-6-yl]propyl]-7H-purine is sourced from PubChem (CID 58515957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).