1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C23H23FN6O2 — CID 123249099

IUPAC1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2OC)CC1
InChIInChI=1S/C23H23FN6O2/c1-31-20-6-4-3-5-18(20)28-9-11-29(12-10-28)22-17-14-27-30(23(17)26-15-25-22)19-13-16(24)7-8-21(19)32-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeySPRLNKQKOJIGIN-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 123249099) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID123249099
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2OC)CC1
InChIInChI=1S/C23H23FN6O2/c1-31-20-6-4-3-5-18(20)28-9-11-29(12-10-28)22-17-14-27-30(23(17)26-15-25-22)19-13-16(24)7-8-21(19)32-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeySPRLNKQKOJIGIN-UHFFFAOYSA-N
XLogP3.30
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 123249099) is 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2OC)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is SPRLNKQKOJIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-31-20-6-4-3-5-18(20)28-9-11-29(12-10-28)22-17-14-27-30(23(17)26-15-25-22)19-13-16(24)7-8-21(19)32-2/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 434.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 123249099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).