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

C26H24N6S — CID 22643121

IUPAC1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H24N6S/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
InChIKeyAVJDZSMNVICBNK-UHFFFAOYSA-N
MW452.59 g/mol
LogP4.79
Rot. Bonds5

About 1-phenyl-4-[4-[phenyl(thiophen-3-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 22643121) has the molecular formula C26H24N6S and a molecular weight of 452.59 g/mol. Its IUPAC name is 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID22643121
Molecular FormulaC26H24N6S
Molecular Weight452.59 g/mol
Exact Mass452.18
IUPAC Name1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H24N6S/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
InChIKeyAVJDZSMNVICBNK-UHFFFAOYSA-N
XLogP4.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
1-(1-{4-[5-(5-amino-1,3,4-thiadiazol-2-yl)-3-phenylpyridin-2-yl]benzyl}piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11365019
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
4-[4-(Diphenylmethyl)piperazinyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1049534
1-Phenyl-4-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011471
1-Phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011472
4-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 3011473
3-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 3011474
4-[4-[o-Tolyl(phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011475
1-Phenyl-4-[4-[phenyl(3-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011480
1-Phenyl-4-[4-[phenyl(4-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011481

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 22643121) is 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(C(c2ccsc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is AVJDZSMNVICBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6S/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 1-phenyl-4-[4-[phenyl(thiophen-3-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 452.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-[phenyl(thiophen-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 22643121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).