6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C22H22FN7O — CID 73347441

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C22H22FN7O/c1-31-18-8-4-16(5-9-18)25-20-19-14-24-28-21(19)27-22(26-20)30-12-10-29(11-13-30)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H2,24,25,26,27,28)
InChIKeyKJMXIYYOCRCVFT-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.57
Rot. Bonds5

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 73347441) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID73347441
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C22H22FN7O/c1-31-18-8-4-16(5-9-18)25-20-19-14-24-28-21(19)27-22(26-20)30-12-10-29(11-13-30)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H2,24,25,26,27,28)
InChIKeyKJMXIYYOCRCVFT-UHFFFAOYSA-N
XLogP3.57
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 30859379
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71945239
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139473
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138126

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 73347441) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KJMXIYYOCRCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-31-18-8-4-16(5-9-18)25-20-19-14-24-28-21(19)27-22(26-20)30-12-10-29(11-13-30)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 419.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 73347441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).