6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C22H22FN7O — CID 73353513

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)c1
InChIInChI=1S/C22H22FN7O/c1-31-18-4-2-3-16(13-18)25-20-19-14-24-28-21(19)27-22(26-20)30-11-9-29(10-12-30)17-7-5-15(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,24,25,26,27,28)
InChIKeyIXGSJWCUFRFSHO-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.57
Rot. Bonds5

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 73353513) 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-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID73353513
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)c1
InChIInChI=1S/C22H22FN7O/c1-31-18-4-2-3-16(13-18)25-20-19-14-24-28-21(19)27-22(26-20)30-11-9-29(10-12-30)17-7-5-15(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,24,25,26,27,28)
InChIKeyIXGSJWCUFRFSHO-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 73353513) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)c1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IXGSJWCUFRFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-31-18-4-2-3-16(13-18)25-20-19-14-24-28-21(19)27-22(26-20)30-11-9-29(10-12-30)17-7-5-15(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-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-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 73353513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).