4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

C26H24N6O — CID 3011484

IUPAC4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccoc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H24N6O/c1-3-7-20(8-4-1)24(21-11-16-33-18-21)30-12-14-31(15-13-30)25-23-17-29-32(26(23)28-19-27-25)22-9-5-2-6-10-22/h1-11,16-19,24H,12-15H2
InChIKeyHHQQWHMZUFWZDX-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.32
Rot. Bonds5

About 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 3011484) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID3011484
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccoc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H24N6O/c1-3-7-20(8-4-1)24(21-11-16-33-18-21)30-12-14-31(15-13-30)25-23-17-29-32(26(23)28-19-27-25)22-9-5-2-6-10-22/h1-11,16-19,24H,12-15H2
InChIKeyHHQQWHMZUFWZDX-UHFFFAOYSA-N
XLogP4.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
1-[4-[4-(Furan-2-yl)phenyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 56664889
1-[4-[4-(Furan-2-yl)phenyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 56678499
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
4-(Furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015494
4-(Furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 23546899
3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25221040
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-furan-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 73350613
3-[6-(furan-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146556192
1-[4-[5-[4-Amino-3-(1-benzofuran-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pentyl]piperazin-1-yl]prop-2-en-1-one
CID 166627836
8-(2-furyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 667097

Frequently Asked Questions

What is the IUPAC name of 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 3011484) is 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(C(c2ccoc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HHQQWHMZUFWZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-3-7-20(8-4-1)24(21-11-16-33-18-21)30-12-14-31(15-13-30)25-23-17-29-32(26(23)28-19-27-25)22-9-5-2-6-10-22/h1-11,16-19,24H,12-15H2.
What are the key properties of 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 436.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[furan-3-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3011484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).