4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C84H75ClN18S3 — CID 158261010

IUPAC4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)s1.c1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)s2)cc1.c1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C32H28N6S.C26H23ClN6S.C26H24N6S/c1-4-10-24(11-5-1)28-16-17-29(39-28)30(25-12-6-2-7-13-25)36-18-20-37(21-19-36)31-27-22-35-38(32(27)34-23-33-31)26-14-8-3-9-15-26;27-23-12-11-22(34-23)24(19-7-3-1-4-8-19)31-13-15-32(16-14-31)25-21-17-30-33(26(21)29-18-28-25)20-9-5-2-6-10-20;1-3-7-20(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/h1-17,22-23,30H,18-21H2;1-12,17-18,24H,13-16H2;1-11,16-19,24H,12-15H2
InChIKeyGHWHTDZPQOCNNH-UHFFFAOYSA-N
MW1468.30 g/mol
LogP16.69
Rot. Bonds16

About 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 158261010) has the molecular formula C84H75ClN18S3 and a molecular weight of 1468.30 g/mol. Its IUPAC name is 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID158261010
Molecular FormulaC84H75ClN18S3
Molecular Weight1468.30 g/mol
Exact Mass1466.53
IUPAC Name4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)s1.c1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)s2)cc1.c1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C32H28N6S.C26H23ClN6S.C26H24N6S/c1-4-10-24(11-5-1)28-16-17-29(39-28)30(25-12-6-2-7-13-25)36-18-20-37(21-19-36)31-27-22-35-38(32(27)34-23-33-31)26-14-8-3-9-15-26;27-23-12-11-22(34-23)24(19-7-3-1-4-8-19)31-13-15-32(16-14-31)25-21-17-30-33(26(21)29-18-28-25)20-9-5-2-6-10-20;1-3-7-20(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/h1-17,22-23,30H,18-21H2;1-12,17-18,24H,13-16H2;1-11,16-19,24H,12-15H2
InChIKeyGHWHTDZPQOCNNH-UHFFFAOYSA-N
XLogP16.69
TPSA150.24 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.30
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
1-Phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 22643121
1-Phenyl-4-[4-[phenyl(thiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 22643122
1-Phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 22643126
4-[4-[(5-Chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 23523925
(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145248433
1,5-Dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine
CID 157372869
Bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine
CID 157446451
4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
CID 157451128
decakis(iridium);9-(2-methylphenyl)-7-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;9-phenyl-7-phenyl-8H-purin-8-ide;7-phenyl-9-propan-2-yl-8H-purin-8-ide;7-phenyl-9-pyridin-2-yl-8H-purin-8-ide;7-phenyl-9-pyridin-3-yl-8H-purin-8-ide;7-phenyl-9-pyridin-4-yl-8H-purin-8-ide;9-phenyl-7-pyridin-4-yl-8H-purin-8-ide;5-phenyl-7-thiophen-2-yl-6H-imidazo[4,5-c]pyridazin-6-ide;9-phenyl-7-thiophen-2-yl-8H-purin-8-ide
CID 157622583
6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-3-yl)ethyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
CID 158224531
6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
CID 158227037

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 158261010) is 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Clc1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)s1.c1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)s2)cc1.c1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is GHWHTDZPQOCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6S.C26H23ClN6S.C26H24N6S/c1-4-10-24(11-5-1)28-16-17-29(39-28)30(25-12-6-2-7-13-25)36-18-20-37(21-19-36)31-27-22-35-38(32(27)34-23-33-31)26-14-8-3-9-15-26;27-23-12-11-22(34-23)24(19-7-3-1-4-8-19)31-13-15-32(16-14-31)25-21-17-30-33(26(21)29-18-28-25)20-9-5-2-6-10-20;1-3-7-20(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/h1-17,22-23,30H,18-21H2;1-12,17-18,24H,13-16H2;1-11,16-19,24H,12-15H2.
What are the key properties of 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 1468.30 g/mol, XLogP of 16.69, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chlorothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl-(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine;1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 158261010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).